N-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide

C13H17ClN2O3 — CID 111443203

IUPACN-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(Cl)c(NC(=O)N2CCC(CO)C2)c1
InChIInChI=1S/C13H17ClN2O3/c1-19-10-2-3-11(14)12(6-10)15-13(18)16-5-4-9(7-16)8-17/h2-3,6,9,17H,4-5,7-8H2,1H3,(H,15,18)
InChIKeyQBHDPIZUZYIGRP-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.19
Rot. Bonds3

About N-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide

N-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111443203) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111443203
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC NameN-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(Cl)c(NC(=O)N2CCC(CO)C2)c1
InChIInChI=1S/C13H17ClN2O3/c1-19-10-2-3-11(14)12(6-10)15-13(18)16-5-4-9(7-16)8-17/h2-3,6,9,17H,4-5,7-8H2,1H3,(H,15,18)
InChIKeyQBHDPIZUZYIGRP-UHFFFAOYSA-N
XLogP2.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-methoxybenzoic acid
CID 115965839
1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031412
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111442952
N-(2-chloro-5-methoxyphenyl)morpholine-4-carboxamide
CID 47421313
(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 125130524
1-[(2-chloro-5-methoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102219
N-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 115667783
2-[(3-aminopyrrolidine-1-carbonyl)amino]-4-methoxybenzoic acid
CID 115412224
N-(2-chloro-5-methoxyphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 75517615
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
(3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 113282412

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111443203) is N-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide is COc1ccc(Cl)c(NC(=O)N2CCC(CO)C2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is QBHDPIZUZYIGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-19-10-2-3-11(14)12(6-10)15-13(18)16-5-4-9(7-16)8-17/h2-3,6,9,17H,4-5,7-8H2,1H3,(H,15,18).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 284.74 g/mol, XLogP of 2.19, 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)-3-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111443203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).