1-(4-chlorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide

C22H24ClFN2O2 — CID 42681252

IUPAC1-(4-chlorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CN(C(=O)c2ccc(Cl)cc2)CC1c1cccc(F)c1
InChIInChI=1S/C22H24ClFN2O2/c1-14(2)11-25-21(27)20-13-26(22(28)15-6-8-17(23)9-7-15)12-19(20)16-4-3-5-18(24)10-16/h3-10,14,19-20H,11-13H2,1-2H3,(H,25,27)
InChIKeyVNBKQWJJKZUUGK-UHFFFAOYSA-N
MW402.90 g/mol
LogP4.11
Rot. Bonds5

About 1-(4-chlorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide

1-(4-chlorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide (PubChem CID 42681252) has the molecular formula C22H24ClFN2O2 and a molecular weight of 402.90 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
PubChem CID42681252
Molecular FormulaC22H24ClFN2O2
Molecular Weight402.90 g/mol
Exact Mass402.15
IUPAC Name1-(4-chlorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CN(C(=O)c2ccc(Cl)cc2)CC1c1cccc(F)c1
InChIInChI=1S/C22H24ClFN2O2/c1-14(2)11-25-21(27)20-13-26(22(28)15-6-8-17(23)9-7-15)12-19(20)16-4-3-5-18(24)10-16/h3-10,14,19-20H,11-13H2,1-2H3,(H,25,27)
InChIKeyVNBKQWJJKZUUGK-UHFFFAOYSA-N
XLogP4.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-N-phenethylbenzamide
CID 306479
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
N-(1-(4-chlorophenyl)-3-(dimethylamino)propyl)-4-phenylbenzamide
CID 11663047
Benzamide derivative 11
CID 41306362
4'-Chloro-3-fluoro-biphenyl-4-carboxylic acid [2-(4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 57890345
4'-Chloro-2-fluoro-biphenyl-4-carboxylic acid [2-(4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 60130264
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(3-phenylpropylamino)methyl]piperidin-1-yl]methanone
CID 132256764
2-Chloro-N-(2-phenyl-propyl)-benzamide
CID 3116854
N-benzyl-4-(4-chlorophenyl)-4-oxobutanamide
CID 2379578
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide hydrochloride
CID 14783875
1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide
CID 165416302
N-[(1S)-1-[2-[1-[(3S,4R)-1-tert-butyl-4-(4-chloro-2-fluorophenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide
CID 44448660

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide (CID 42681252) is 1-(4-chlorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide is CC(C)CNC(=O)C1CN(C(=O)c2ccc(Cl)cc2)CC1c1cccc(F)c1.
What is the InChIKey of 1-(4-chlorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is VNBKQWJJKZUUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN2O2/c1-14(2)11-25-21(27)20-13-26(22(28)15-6-8-17(23)9-7-15)12-19(20)16-4-3-5-18(24)10-16/h3-10,14,19-20H,11-13H2,1-2H3,(H,25,27).
What are the key properties of 1-(4-chlorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
1-(4-chlorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 402.90 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42681252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).