1-(3-chlorobenzoyl)-4-(4-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide

C21H22ClFN2O2 — CID 42827096

IUPAC1-(3-chlorobenzoyl)-4-(4-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)c2cccc(Cl)c2)CC1c1ccc(F)cc1
InChIInChI=1S/C21H22ClFN2O2/c1-13(2)24-20(26)19-12-25(21(27)15-4-3-5-16(22)10-15)11-18(19)14-6-8-17(23)9-7-14/h3-10,13,18-19H,11-12H2,1-2H3,(H,24,26)
InChIKeyTYUZLJAJCQDDHY-UHFFFAOYSA-N
MW388.87 g/mol
LogP3.86
Rot. Bonds4

About 1-(3-chlorobenzoyl)-4-(4-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide

1-(3-chlorobenzoyl)-4-(4-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 42827096) has the molecular formula C21H22ClFN2O2 and a molecular weight of 388.87 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-4-(4-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-4-(4-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID42827096
Molecular FormulaC21H22ClFN2O2
Molecular Weight388.87 g/mol
Exact Mass388.14
IUPAC Name1-(3-chlorobenzoyl)-4-(4-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)c2cccc(Cl)c2)CC1c1ccc(F)cc1
InChIInChI=1S/C21H22ClFN2O2/c1-13(2)24-20(26)19-12-25(21(27)15-4-3-5-16(22)10-15)11-18(19)14-6-8-17(23)9-7-14/h3-10,13,18-19H,11-12H2,1-2H3,(H,24,26)
InChIKeyTYUZLJAJCQDDHY-UHFFFAOYSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 42680933
(3S,4R)-1-benzoyl-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93152505
1-(3-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-4-phenylpyrrolidine-3-carboxamide
CID 42680151
4-(4-fluorophenyl)-1-(furan-2-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 42680934
(3S,4S)-1-(3-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93150934
1-(4-fluorobenzoyl)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 42826294
(3S,4S)-1-(3-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93150036
(3S,4R)-1-(3-chlorobenzoyl)-4-phenylpyrrolidine-3-carboxylic acid
CID 166330987
(3R,4R)-1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93150886
1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 42680866
1-(3-chlorobenzoyl)-4-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 42681210
1-(3-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 42681723

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)-4-(4-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chlorobenzoyl)-4-(4-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide (CID 42827096) is 1-(3-chlorobenzoyl)-4-(4-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorobenzoyl)-4-(4-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chlorobenzoyl)-4-(4-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)NC(=O)C1CN(C(=O)c2cccc(Cl)c2)CC1c1ccc(F)cc1.
What is the InChIKey of 1-(3-chlorobenzoyl)-4-(4-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is TYUZLJAJCQDDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O2/c1-13(2)24-20(26)19-12-25(21(27)15-4-3-5-16(22)10-15)11-18(19)14-6-8-17(23)9-7-14/h3-10,13,18-19H,11-12H2,1-2H3,(H,24,26).
What are the key properties of 1-(3-chlorobenzoyl)-4-(4-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
1-(3-chlorobenzoyl)-4-(4-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 388.87 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobenzoyl)-4-(4-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42827096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).