N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide

C13H14N2O — CID 1489245

IUPACN-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C13H14N2O/c1-10-4-6-11(7-5-10)9-15-13(16)12-3-2-8-14-12/h2-8,14H,9H2,1H3,(H,15,16)
InChIKeyQNGNTDZXTCCSEP-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.25
Rot. Bonds3

About N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide

N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 1489245) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID1489245
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C13H14N2O/c1-10-4-6-11(7-5-10)9-15-13(16)12-3-2-8-14-12/h2-8,14H,9H2,1H3,(H,15,16)
InChIKeyQNGNTDZXTCCSEP-UHFFFAOYSA-N
XLogP2.25
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide (CID 1489245) is N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide is Cc1ccc(CNC(=O)c2ccc[nH]2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is QNGNTDZXTCCSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-4-6-11(7-5-10)9-15-13(16)12-3-2-8-14-12/h2-8,14H,9H2,1H3,(H,15,16).
What are the key properties of N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide?
N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 214.27 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1489245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).