N-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide

C13H13ClN2O2 — CID 1489232

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc[nH]2)cc1Cl
InChIInChI=1S/C13H13ClN2O2/c1-18-12-5-4-9(7-10(12)14)8-16-13(17)11-3-2-6-15-11/h2-7,15H,8H2,1H3,(H,16,17)
InChIKeyLPZKSPJTKVFATK-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.61
Rot. Bonds4

About N-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide

N-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 1489232) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID1489232
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc[nH]2)cc1Cl
InChIInChI=1S/C13H13ClN2O2/c1-18-12-5-4-9(7-10(12)14)8-16-13(17)11-3-2-6-15-11/h2-7,15H,8H2,1H3,(H,16,17)
InChIKeyLPZKSPJTKVFATK-UHFFFAOYSA-N
XLogP2.61
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide (CID 1489232) is N-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide is COc1ccc(CNC(=O)c2ccc[nH]2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is LPZKSPJTKVFATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-18-12-5-4-9(7-10(12)14)8-16-13(17)11-3-2-6-15-11/h2-7,15H,8H2,1H3,(H,16,17).
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
N-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1489232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).