N-(3-bromophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide

C55H51BrClF9N6O3 — CID 159223367

IUPACN-(3-bromophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1.O=C(Nc1cccc(Br)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1.O=C(Nc1cccc(Cl)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O.C18H16BrF3N2O.C18H16ClF3N2O/c1-13-5-4-6-15(11-13)23-18(25)14-7-8-17(24-9-2-3-10-24)16(12-14)19(20,21)22;2*19-13-4-3-5-14(11-13)23-17(25)12-6-7-16(24-8-1-2-9-24)15(10-12)18(20,21)22/h4-8,11-12H,2-3,9-10H2,1H3,(H,23,25);2*3-7,10-11H,1-2,8-9H2,(H,23,25)
InChIKeyKRZBFIFSMLHNLV-UHFFFAOYSA-N
MW1130.39 g/mol
LogP15.40
Rot. Bonds9

About N-(3-bromophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide

N-(3-bromophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide (PubChem CID 159223367) has the molecular formula C55H51BrClF9N6O3 and a molecular weight of 1130.39 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
PubChem CID159223367
Molecular FormulaC55H51BrClF9N6O3
Molecular Weight1130.39 g/mol
Exact Mass1128.28
IUPAC NameN-(3-bromophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1.O=C(Nc1cccc(Br)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1.O=C(Nc1cccc(Cl)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O.C18H16BrF3N2O.C18H16ClF3N2O/c1-13-5-4-6-15(11-13)23-18(25)14-7-8-17(24-9-2-3-10-24)16(12-14)19(20,21)22;2*19-13-4-3-5-14(11-13)23-17(25)12-6-7-16(24-8-1-2-9-24)15(10-12)18(20,21)22/h4-8,11-12H,2-3,9-10H2,1H3,(H,23,25);2*3-7,10-11H,1-2,8-9H2,(H,23,25)
InChIKeyKRZBFIFSMLHNLV-UHFFFAOYSA-N
XLogP15.40
TPSA97.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001130.39
LogP ≤ 515.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(3-bromophenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]-3-methylbenzamide
CID 46326353
4-chloro-N-(3-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 154268338
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
N-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349213
N-(3-bromophenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 144889014
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide
CID 7920374
N-(3-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225773
N-[3-[(2-chloro-4-methylphenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]-3-methylbenzamide
CID 46326340
N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91676338
N-(3-bromophenyl)-4-fluoro-3-methylbenzamide
CID 63210603
4-bromo-N-(3-bromophenyl)-3-chlorobenzamide
CID 81295310
5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 42751129

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-bromophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide (CID 159223367) is N-(3-bromophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-bromophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-bromophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide is Cc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1.O=C(Nc1cccc(Br)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1.O=C(Nc1cccc(Cl)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1.
What is the InChIKey of N-(3-bromophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The InChIKey is KRZBFIFSMLHNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O.C18H16BrF3N2O.C18H16ClF3N2O/c1-13-5-4-6-15(11-13)23-18(25)14-7-8-17(24-9-2-3-10-24)16(12-14)19(20,21)22;2*19-13-4-3-5-14(11-13)23-17(25)12-6-7-16(24-8-1-2-9-24)15(10-12)18(20,21)22/h4-8,11-12H,2-3,9-10H2,1H3,(H,23,25);2*3-7,10-11H,1-2,8-9H2,(H,23,25).
What are the key properties of N-(3-bromophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
N-(3-bromophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide has a molecular weight of 1130.39 g/mol, XLogP of 15.40, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159223367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).