(2S)-N-(3-chloro-4-propoxyphenyl)-1-methylpyrrolidine-2-carboxamide

C15H21ClN2O2 — CID 131937126

IUPAC(2S)-N-(3-chloro-4-propoxyphenyl)-1-methylpyrrolidine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)[C@@H]2CCCN2C)cc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-3-9-20-14-7-6-11(10-12(14)16)17-15(19)13-5-4-8-18(13)2/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyYIYFUBUQIBTFKK-ZDUSSCGKSA-N
MW296.80 g/mol
LogP3.16
Rot. Bonds5

About (2S)-N-(3-chloro-4-propoxyphenyl)-1-methylpyrrolidine-2-carboxamide

(2S)-N-(3-chloro-4-propoxyphenyl)-1-methylpyrrolidine-2-carboxamide (PubChem CID 131937126) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-propoxyphenyl)-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-propoxyphenyl)-1-methylpyrrolidine-2-carboxamide
PubChem CID131937126
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(2S)-N-(3-chloro-4-propoxyphenyl)-1-methylpyrrolidine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)[C@@H]2CCCN2C)cc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-3-9-20-14-7-6-11(10-12(14)16)17-15(19)13-5-4-8-18(13)2/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyYIYFUBUQIBTFKK-ZDUSSCGKSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide
CID 61179228
N-(3,4-dipropoxyphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 43033680
N-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide
CID 107067581
(2S)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-1-methylpyrrolidine-2-carboxamide
CID 11496823
N-(3-chloro-4-propoxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424834
N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 55544635
N-[3-chloro-4-(2-methylpropoxy)phenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 55874024
2-[2-chloro-4-[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 120531964
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79281917
1-methyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 110856789
N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide
CID 78779732

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-propoxyphenyl)-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-chloro-4-propoxyphenyl)-1-methylpyrrolidine-2-carboxamide (CID 131937126) is (2S)-N-(3-chloro-4-propoxyphenyl)-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-propoxyphenyl)-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-chloro-4-propoxyphenyl)-1-methylpyrrolidine-2-carboxamide is CCCOc1ccc(NC(=O)[C@@H]2CCCN2C)cc1Cl.
What is the InChIKey of (2S)-N-(3-chloro-4-propoxyphenyl)-1-methylpyrrolidine-2-carboxamide?
The InChIKey is YIYFUBUQIBTFKK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-3-9-20-14-7-6-11(10-12(14)16)17-15(19)13-5-4-8-18(13)2/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-propoxyphenyl)-1-methylpyrrolidine-2-carboxamide?
(2S)-N-(3-chloro-4-propoxyphenyl)-1-methylpyrrolidine-2-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-propoxyphenyl)-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 131937126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).