N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide

C12H12N2O2 — CID 110691156

IUPACN-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc[nH]c2)c1
InChIInChI=1S/C12H12N2O2/c1-16-11-4-2-3-10(7-11)14-12(15)9-5-6-13-8-9/h2-8,13H,1H3,(H,14,15)
InChIKeyQTITXDYAZFAMJK-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.28
Rot. Bonds3

About N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide

N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 110691156) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide
PubChem CID110691156
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC NameN-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc[nH]c2)c1
InChIInChI=1S/C12H12N2O2/c1-16-11-4-2-3-10(7-11)14-12(15)9-5-6-13-8-9/h2-8,13H,1H3,(H,14,15)
InChIKeyQTITXDYAZFAMJK-UHFFFAOYSA-N
XLogP2.28
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
3,5-diacetamido-N-(3-methoxyphenyl)benzamide
CID 18104274
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050069
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide (CID 110691156) is N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide is COc1cccc(NC(=O)c2cc[nH]c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is QTITXDYAZFAMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-16-11-4-2-3-10(7-11)14-12(15)9-5-6-13-8-9/h2-8,13H,1H3,(H,14,15).
What are the key properties of N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide?
N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 110691156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).