N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide

C13H17ClN2O3 — CID 111442952

IUPACN-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(CO)C2)cc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-19-12-3-2-10(6-11(12)14)15-13(18)16-5-4-9(7-16)8-17/h2-3,6,9,17H,4-5,7-8H2,1H3,(H,15,18)
InChIKeyJDBXICQJMLSOMD-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.19
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide

N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111442952) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111442952
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(CO)C2)cc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-19-12-3-2-10(6-11(12)14)15-13(18)16-5-4-9(7-16)8-17/h2-3,6,9,17H,4-5,7-8H2,1H3,(H,15,18)
InChIKeyJDBXICQJMLSOMD-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

N-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62371221
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
(3R)-N-(3-bromo-4-methoxyphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96530938
(3S)-N-(3-bromo-4-methoxyphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96530937
N-[4-chloro-3-(difluoromethoxy)phenyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 75451518
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108988526
N-(3,4-dichlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 111798594
N-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443203
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 86988216
(3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 26586333
N-(3-chloro-4-methoxyphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide;formic acid
CID 154914764

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111442952) is N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(CO)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is JDBXICQJMLSOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-19-12-3-2-10(6-11(12)14)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-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-(3-chloro-4-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-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111442952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).