1-methyl-N-phenylpyrrole-3-carboxamide

C12H12N2O — CID 110762710

IUPAC1-methyl-N-phenylpyrrole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C12H12N2O/c1-14-8-7-10(9-14)12(15)13-11-5-3-2-4-6-11/h2-9H,1H3,(H,13,15)
InChIKeyZXCVENNGNNIFFN-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.28
Rot. Bonds2

About 1-methyl-N-phenylpyrrole-3-carboxamide

1-methyl-N-phenylpyrrole-3-carboxamide (PubChem CID 110762710) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-methyl-N-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-phenylpyrrole-3-carboxamide
PubChem CID110762710
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-methyl-N-phenylpyrrole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C12H12N2O/c1-14-8-7-10(9-14)12(15)13-11-5-3-2-4-6-11/h2-9H,1H3,(H,13,15)
InChIKeyZXCVENNGNNIFFN-UHFFFAOYSA-N
XLogP2.28
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-(3-methylphenyl)pyrrole-3-carboxamide
CID 110762711
N-(3,4-dichlorophenyl)-1-methylpyrrole-3-carboxamide
CID 110863945
N-(2-carbamoylphenyl)-1-methylpyrrole-3-carboxamide
CID 110762752
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 144544324
2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 47090674
4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
CID 11727816
4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
CID 11748395
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-phenylpyrrole-3-carboxamide?
The IUPAC name of 1-methyl-N-phenylpyrrole-3-carboxamide (CID 110762710) is 1-methyl-N-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-phenylpyrrole-3-carboxamide?
The canonical SMILES for 1-methyl-N-phenylpyrrole-3-carboxamide is Cn1ccc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-methyl-N-phenylpyrrole-3-carboxamide?
The InChIKey is ZXCVENNGNNIFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-14-8-7-10(9-14)12(15)13-11-5-3-2-4-6-11/h2-9H,1H3,(H,13,15).
What are the key properties of 1-methyl-N-phenylpyrrole-3-carboxamide?
1-methyl-N-phenylpyrrole-3-carboxamide has a molecular weight of 200.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 110762710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).