1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide

C22H27ClN2O — CID 134799026

IUPAC1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1ccc(-c2cccc(CN3CCCC3C(=O)NC(C)C)c2)cc1Cl
InChIInChI=1S/C22H27ClN2O/c1-15(2)24-22(26)21-8-5-11-25(21)14-17-6-4-7-18(12-17)19-10-9-16(3)20(23)13-19/h4,6-7,9-10,12-13,15,21H,5,8,11,14H2,1-3H3,(H,24,26)
InChIKeyPTTLYWPTGOMINO-UHFFFAOYSA-N
MW370.92 g/mol
LogP4.80
Rot. Bonds5

About 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide

1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 134799026) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID134799026
Molecular FormulaC22H27ClN2O
Molecular Weight370.92 g/mol
Exact Mass370.18
IUPAC Name1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1ccc(-c2cccc(CN3CCCC3C(=O)NC(C)C)c2)cc1Cl
InChIInChI=1S/C22H27ClN2O/c1-15(2)24-22(26)21-8-5-11-25(21)14-17-6-4-7-18(12-17)19-10-9-16(3)20(23)13-19/h4,6-7,9-10,12-13,15,21H,5,8,11,14H2,1-3H3,(H,24,26)
InChIKeyPTTLYWPTGOMINO-UHFFFAOYSA-N
XLogP4.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpyrrolidine-2-carboxamide
CID 134799361
1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 134798064
1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 134797326
1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
CID 110904280
N-[(4-chlorophenyl)methyl]-1-[[3-(3-methoxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 134800440
1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122036442
(2R)-1-benzyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 97006888
(2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 35528693
1-[[3-[4-(2-carboxypropyl)phenyl]phenyl]methyl]piperidine-2-carboxylic acid
CID 142053504
(2S)-1-benzyl-N-[(1S)-1-cyanoethyl]piperidine-2-carboxamide
CID 124607982
(2S)-2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 118773170
(E)-2-[(1-benzylpyrrolidine-2-carbonyl)amino]hex-4-enoic acid
CID 120694302

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide (CID 134799026) is 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide is Cc1ccc(-c2cccc(CN3CCCC3C(=O)NC(C)C)c2)cc1Cl.
What is the InChIKey of 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is PTTLYWPTGOMINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O/c1-15(2)24-22(26)21-8-5-11-25(21)14-17-6-4-7-18(12-17)19-10-9-16(3)20(23)13-19/h4,6-7,9-10,12-13,15,21H,5,8,11,14H2,1-3H3,(H,24,26).
What are the key properties of 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 370.92 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134799026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).