N-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride

C18H19BrClFN2O — CID 119810409

IUPACN-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC(c1cccc(F)c1)c1cccc(Br)c1)C1CCNC1
InChIInChI=1S/C18H18BrFN2O.ClH/c19-15-5-1-3-12(9-15)17(13-4-2-6-16(20)10-13)22-18(23)14-7-8-21-11-14;/h1-6,9-10,14,17,21H,7-8,11H2,(H,22,23);1H
InChIKeyPTYCEWIWDSDRAX-UHFFFAOYSA-N
MW413.72 g/mol
LogP3.83
Rot. Bonds4

About N-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride

N-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119810409) has the molecular formula C18H19BrClFN2O and a molecular weight of 413.72 g/mol. Its IUPAC name is N-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119810409
Molecular FormulaC18H19BrClFN2O
Molecular Weight413.72 g/mol
Exact Mass412.04
IUPAC NameN-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC(c1cccc(F)c1)c1cccc(Br)c1)C1CCNC1
InChIInChI=1S/C18H18BrFN2O.ClH/c19-15-5-1-3-12(9-15)17(13-4-2-6-16(20)10-13)22-18(23)14-7-8-21-11-14;/h1-6,9-10,14,17,21H,7-8,11H2,(H,22,23);1H
InChIKeyPTYCEWIWDSDRAX-UHFFFAOYSA-N
XLogP3.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.72
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 119810410
N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 119815281
N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005470
N-[(3-bromophenyl)-(3-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119810405
N-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119285498
(3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 129415304
N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119689120
N-benzhydrylpiperidine-4-carboxamide
CID 119263888
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
N-[bis(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 119338864
N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 119806108
N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119797007

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119810409) is N-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NC(c1cccc(F)c1)c1cccc(Br)c1)C1CCNC1.
What is the InChIKey of N-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is PTYCEWIWDSDRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O.ClH/c19-15-5-1-3-12(9-15)17(13-4-2-6-16(20)10-13)22-18(23)14-7-8-21-11-14;/h1-6,9-10,14,17,21H,7-8,11H2,(H,22,23);1H.
What are the key properties of N-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 413.72 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119810409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).