(2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

C16H21ClN2O2 — CID 95653604

IUPAC(2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C(C)C)c(Cl)c1
InChIInChI=1S/C16H21ClN2O2/c1-10(2)16(21)19-8-4-5-14(19)15(20)18-13-7-6-11(3)9-12(13)17/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyWMMKXNOWAHONOC-AWEZNQCLSA-N
MW308.81 g/mol
LogP3.23
Rot. Bonds3

About (2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

(2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 95653604) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is (2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID95653604
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name(2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C(C)C)c(Cl)c1
InChIInChI=1S/C16H21ClN2O2/c1-10(2)16(21)19-8-4-5-14(19)15(20)18-13-7-6-11(3)9-12(13)17/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyWMMKXNOWAHONOC-AWEZNQCLSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31775816
(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200
N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide
CID 78899906
1-(2,2-dimethylpropanoyl)-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 47050528
N-(3-carbamoyl-2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 87025080
N-[3-chloro-4-(2-methylpropoxy)phenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 55874024
1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293647
(2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide
CID 92887776
(2S)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide
CID 92887775
2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide
CID 64822911
(2S)-1-acetyl-N-[2-(ethylamino)-4-methylphenyl]pyrrolidine-2-carboxamide
CID 99833431
tert-butyl 2-[(2,4-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2876304

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (CID 95653604) is (2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C(C)C)c(Cl)c1.
What is the InChIKey of (2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is WMMKXNOWAHONOC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-10(2)16(21)19-8-4-5-14(19)15(20)18-13-7-6-11(3)9-12(13)17/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
(2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 308.81 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95653604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).