(3S,4S)-1-(4-chlorobenzoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide

C21H23ClN2O2 — CID 93148484

IUPAC(3S,4S)-1-(4-chlorobenzoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C21H23ClN2O2/c1-2-12-23-20(25)19-14-24(13-18(19)15-6-4-3-5-7-15)21(26)16-8-10-17(22)11-9-16/h3-11,18-19H,2,12-14H2,1H3,(H,23,25)/t18-,19-/m1/s1
InChIKeyDUCRCNZRNBFJDW-RTBURBONSA-N
MW370.88 g/mol
LogP3.72
Rot. Bonds5

About (3S,4S)-1-(4-chlorobenzoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide

(3S,4S)-1-(4-chlorobenzoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide (PubChem CID 93148484) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is (3S,4S)-1-(4-chlorobenzoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-(4-chlorobenzoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide
PubChem CID93148484
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name(3S,4S)-1-(4-chlorobenzoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C21H23ClN2O2/c1-2-12-23-20(25)19-14-24(13-18(19)15-6-4-3-5-7-15)21(26)16-8-10-17(22)11-9-16/h3-11,18-19H,2,12-14H2,1H3,(H,23,25)/t18-,19-/m1/s1
InChIKeyDUCRCNZRNBFJDW-RTBURBONSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-1-(4-chlorobenzoyl)-N-(2-methoxyethyl)-4-phenylpyrrolidine-3-carboxamide
CID 93148423
(3S,4R)-N-butyl-1-(4-chlorobenzoyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxamide
CID 93151579
(3S,4S)-1-(4-chlorobenzoyl)-N,N-diethyl-4-phenylpyrrolidine-3-carboxamide
CID 93148612
(3S,4S)-1-(3,3-dimethylbutanoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide
CID 97478867
N-benzyl-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680858
(3S,4S)-1-(4-methylbenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide
CID 93152035
1-benzoyl-N-(cyclopropylmethyl)-4-phenylpyrrolidine-3-carboxamide
CID 42680162
(3R,4S)-1-(3-chlorobenzoyl)-N-propyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93149993
1-(4-chlorobenzoyl)-4-(2-methoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 42829644
(3S,4S)-3-N,4-N-bis[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-1-[4-[(3S,4S)-4-[[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]carbamoyl]-3-[[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3,4-dicarboxamide
CID 171353259
(3S,4R)-N-[(4-fluorophenyl)methyl]-1-(4-methylbenzoyl)-4-phenylpyrrolidine-3-carboxamide
CID 93148505
(3S,4R)-N-butyl-4-(4-fluorophenyl)-1-(4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93151567

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(4-chlorobenzoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-(4-chlorobenzoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide (CID 93148484) is (3S,4S)-1-(4-chlorobenzoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-(4-chlorobenzoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-(4-chlorobenzoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide is CCCNC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4S)-1-(4-chlorobenzoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide?
The InChIKey is DUCRCNZRNBFJDW-RTBURBONSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-2-12-23-20(25)19-14-24(13-18(19)15-6-4-3-5-7-15)21(26)16-8-10-17(22)11-9-16/h3-11,18-19H,2,12-14H2,1H3,(H,23,25)/t18-,19-/m1/s1.
What are the key properties of (3S,4S)-1-(4-chlorobenzoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide?
(3S,4S)-1-(4-chlorobenzoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(4-chlorobenzoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 93148484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).