N-(2-carbamoylphenyl)-1-methylpyrrole-3-carboxamide

C13H13N3O2 — CID 110762752

IUPACN-(2-carbamoylphenyl)-1-methylpyrrole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccccc2C(N)=O)c1
InChIInChI=1S/C13H13N3O2/c1-16-7-6-9(8-16)13(18)15-11-5-3-2-4-10(11)12(14)17/h2-8H,1H3,(H2,14,17)(H,15,18)
InChIKeyUCSITXUXNGITDC-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.38
Rot. Bonds3

About N-(2-carbamoylphenyl)-1-methylpyrrole-3-carboxamide

N-(2-carbamoylphenyl)-1-methylpyrrole-3-carboxamide (PubChem CID 110762752) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-1-methylpyrrole-3-carboxamide
PubChem CID110762752
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(2-carbamoylphenyl)-1-methylpyrrole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccccc2C(N)=O)c1
InChIInChI=1S/C13H13N3O2/c1-16-7-6-9(8-16)13(18)15-11-5-3-2-4-10(11)12(14)17/h2-8H,1H3,(H2,14,17)(H,15,18)
InChIKeyUCSITXUXNGITDC-UHFFFAOYSA-N
XLogP1.38
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzamidobenzamide
CID 702115
N-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide
CID 47011305
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
2-[(4-hydroxybenzoyl)amino]benzamide
CID 110462650
1-methyl-N-phenylpyrrole-3-carboxamide
CID 110762710
2-[(4-pyrazol-1-ylbenzoyl)amino]benzamide
CID 78812019
N-(2-carbamothioylphenyl)-1-methylpyrazole-4-carboxamide
CID 28742886
2-[[4-(bromomethyl)benzoyl]amino]benzamide
CID 102850971
2-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide
CID 110761802
2-[[2-(ethylamino)benzoyl]amino]benzamide
CID 63107722
N-(2-carbamoylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 174988541
N-(2-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 60592332

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-1-methylpyrrole-3-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-1-methylpyrrole-3-carboxamide (CID 110762752) is N-(2-carbamoylphenyl)-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-1-methylpyrrole-3-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-1-methylpyrrole-3-carboxamide is Cn1ccc(C(=O)Nc2ccccc2C(N)=O)c1.
What is the InChIKey of N-(2-carbamoylphenyl)-1-methylpyrrole-3-carboxamide?
The InChIKey is UCSITXUXNGITDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16-7-6-9(8-16)13(18)15-11-5-3-2-4-10(11)12(14)17/h2-8H,1H3,(H2,14,17)(H,15,18).
What are the key properties of N-(2-carbamoylphenyl)-1-methylpyrrole-3-carboxamide?
N-(2-carbamoylphenyl)-1-methylpyrrole-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 110762752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).