1-(3-chlorobenzoyl)-N-methyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C23H24ClF3N2O2 — CID 42680412

IUPAC1-(3-chlorobenzoyl)-N-methyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)N(C)C(=O)C1CN(C(=O)c2cccc(Cl)c2)CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H24ClF3N2O2/c1-14(2)28(3)22(31)20-13-29(21(30)16-7-5-9-18(24)11-16)12-19(20)15-6-4-8-17(10-15)23(25,26)27/h4-11,14,19-20H,12-13H2,1-3H3
InChIKeyODHSWZCHNRCAJY-UHFFFAOYSA-N
MW452.90 g/mol
LogP5.08
Rot. Bonds4

About 1-(3-chlorobenzoyl)-N-methyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

1-(3-chlorobenzoyl)-N-methyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 42680412) has the molecular formula C23H24ClF3N2O2 and a molecular weight of 452.90 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-N-methyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-N-methyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID42680412
Molecular FormulaC23H24ClF3N2O2
Molecular Weight452.90 g/mol
Exact Mass452.15
IUPAC Name1-(3-chlorobenzoyl)-N-methyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)N(C)C(=O)C1CN(C(=O)c2cccc(Cl)c2)CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H24ClF3N2O2/c1-14(2)28(3)22(31)20-13-29(21(30)16-7-5-9-18(24)11-16)12-19(20)15-6-4-8-17(10-15)23(25,26)27/h4-11,14,19-20H,12-13H2,1-3H3
InChIKeyODHSWZCHNRCAJY-UHFFFAOYSA-N
XLogP5.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.90
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-3-N-methyl-1-N,3-N-di(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 93149346
1-N-ethyl-3-N-methyl-3-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 42826004
1-benzoyl-N-ethyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680419
(3S,4R)-1-(3-methoxybenzoyl)-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93149034
N-methyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42825255
(3S,4R)-1-(3-chlorobenzoyl)-4-phenylpyrrolidine-3-carboxylic acid
CID 166330987
1-(1,3-benzodioxole-5-carbonyl)-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680337
(3R,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93149108
(3S,4R)-N-ethyl-N-methyl-1-(thiophene-2-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93149272
1-(4-methoxybenzoyl)-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680313
(3S,4R)-1-benzoyl-N-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93148986
(3R,4R)-1-benzoyl-N-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93148987

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)-N-methyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chlorobenzoyl)-N-methyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 42680412) is 1-(3-chlorobenzoyl)-N-methyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorobenzoyl)-N-methyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chlorobenzoyl)-N-methyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CC(C)N(C)C(=O)C1CN(C(=O)c2cccc(Cl)c2)CC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(3-chlorobenzoyl)-N-methyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is ODHSWZCHNRCAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N2O2/c1-14(2)28(3)22(31)20-13-29(21(30)16-7-5-9-18(24)11-16)12-19(20)15-6-4-8-17(10-15)23(25,26)27/h4-11,14,19-20H,12-13H2,1-3H3.
What are the key properties of 1-(3-chlorobenzoyl)-N-methyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
1-(3-chlorobenzoyl)-N-methyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 452.90 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobenzoyl)-N-methyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 42680412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).