N-(2-chloro-5-methoxyphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide

C15H21ClN2O3 — CID 75517615

IUPACN-(2-chloro-5-methoxyphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(Cl)c(NC(=O)N2CCCC2C(C)(C)O)c1
InChIInChI=1S/C15H21ClN2O3/c1-15(2,20)13-5-4-8-18(13)14(19)17-12-9-10(21-3)6-7-11(12)16/h6-7,9,13,20H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyMITNAKNXNCNYIY-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.12
Rot. Bonds3

About N-(2-chloro-5-methoxyphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide

N-(2-chloro-5-methoxyphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 75517615) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
PubChem CID75517615
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-(2-chloro-5-methoxyphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(Cl)c(NC(=O)N2CCCC2C(C)(C)O)c1
InChIInChI=1S/C15H21ClN2O3/c1-15(2,20)13-5-4-8-18(13)14(19)17-12-9-10(21-3)6-7-11(12)16/h6-7,9,13,20H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyMITNAKNXNCNYIY-UHFFFAOYSA-N
XLogP3.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-chloro-5-methoxyphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97075950
N-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443203
1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031412
N-(2-chloro-5-methoxyphenyl)morpholine-4-carboxamide
CID 47421313
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 75397395
(2S)-1-N-(2,5-dichlorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 99818478
4-amino-N-(2-chloro-5-methoxyphenyl)-2,2-dimethylbutanamide
CID 114285613
1-[(2-chloro-5-methoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102219
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856460
(2R)-2-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468706
(2R)-N-(3-chloro-1-benzothiophen-2-yl)-2-[(1S)-1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 97088434
2-chloro-1-[2-(2-chloro-5-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 176997608

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide (CID 75517615) is N-(2-chloro-5-methoxyphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide is COc1ccc(Cl)c(NC(=O)N2CCCC2C(C)(C)O)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is MITNAKNXNCNYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-15(2,20)13-5-4-8-18(13)14(19)17-12-9-10(21-3)6-7-11(12)16/h6-7,9,13,20H,4-5,8H2,1-3H3,(H,17,19).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
N-(2-chloro-5-methoxyphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75517615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).