(3R,4S)-1-(2-chlorobenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide

C22H25ClN2O2 — CID 93152032

IUPAC(3R,4S)-1-(2-chlorobenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CN(C(=O)c2ccccc2Cl)C[C@@H]1c1ccccc1C
InChIInChI=1S/C22H25ClN2O2/c1-3-12-24-21(26)19-14-25(22(27)17-10-6-7-11-20(17)23)13-18(19)16-9-5-4-8-15(16)2/h4-11,18-19H,3,12-14H2,1-2H3,(H,24,26)/t18-,19+/m1/s1
InChIKeyWAFDXVKBRMEFDV-MOPGFXCFSA-N
MW384.91 g/mol
LogP4.03
Rot. Bonds5

About (3R,4S)-1-(2-chlorobenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide

(3R,4S)-1-(2-chlorobenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide (PubChem CID 93152032) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is (3R,4S)-1-(2-chlorobenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-1-(2-chlorobenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide
PubChem CID93152032
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name(3R,4S)-1-(2-chlorobenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CN(C(=O)c2ccccc2Cl)C[C@@H]1c1ccccc1C
InChIInChI=1S/C22H25ClN2O2/c1-3-12-24-21(26)19-14-25(22(27)17-10-6-7-11-20(17)23)13-18(19)16-9-5-4-8-15(16)2/h4-11,18-19H,3,12-14H2,1-2H3,(H,24,26)/t18-,19+/m1/s1
InChIKeyWAFDXVKBRMEFDV-MOPGFXCFSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-1-(4-methylbenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide
CID 93152035
(3S,4S)-N-(2-methoxyethyl)-1-(2-methylbenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 93152688
(3S,4R)-N-(2-methoxyethyl)-1-(2-methylbenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 93152687
4-(2,5-dimethoxyphenyl)-1-(2-methylbenzoyl)-N-propylpyrrolidine-3-carboxamide
CID 42680798
N-benzyl-1-(2-fluorobenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 42681083
(3S,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 93152077
(3S,4R)-1-(2-chlorobenzoyl)-4-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 93151535
(3S,4S)-1-(4-chlorobenzoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide
CID 93148484
(3S,4R)-N-butyl-4-(2,5-dimethoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93150817
(3R,4S)-4-(2,5-dimethoxyphenyl)-1-(2-fluorobenzoyl)-N-propylpyrrolidine-3-carboxamide
CID 93150688
N-benzyl-1-(cyclopropanecarbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 42828575
(3R,4S)-4-(2-methoxyphenyl)-1-(2-methylbenzoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 93151778

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(2-chlorobenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-1-(2-chlorobenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide (CID 93152032) is (3R,4S)-1-(2-chlorobenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-1-(2-chlorobenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-1-(2-chlorobenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide is CCCNC(=O)[C@H]1CN(C(=O)c2ccccc2Cl)C[C@@H]1c1ccccc1C.
What is the InChIKey of (3R,4S)-1-(2-chlorobenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide?
The InChIKey is WAFDXVKBRMEFDV-MOPGFXCFSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-3-12-24-21(26)19-14-25(22(27)17-10-6-7-11-20(17)23)13-18(19)16-9-5-4-8-15(16)2/h4-11,18-19H,3,12-14H2,1-2H3,(H,24,26)/t18-,19+/m1/s1.
What are the key properties of (3R,4S)-1-(2-chlorobenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide?
(3R,4S)-1-(2-chlorobenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(2-chlorobenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 93152032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).