4-[[2-(1H-pyrrol-3-yl)acetyl]amino]benzamide

C13H13N3O2 — CID 110769227

IUPAC4-[[2-(1H-pyrrol-3-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)Cc2cc[nH]c2)cc1
InChIInChI=1S/C13H13N3O2/c14-13(18)10-1-3-11(4-2-10)16-12(17)7-9-5-6-15-8-9/h1-6,8,15H,7H2,(H2,14,18)(H,16,17)
InChIKeyLQHKBXBLLHBPAV-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.29
Rot. Bonds4

About 4-[[2-(1H-pyrrol-3-yl)acetyl]amino]benzamide

4-[[2-(1H-pyrrol-3-yl)acetyl]amino]benzamide (PubChem CID 110769227) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-[[2-(1H-pyrrol-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(1H-pyrrol-3-yl)acetyl]amino]benzamide
PubChem CID110769227
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name4-[[2-(1H-pyrrol-3-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)Cc2cc[nH]c2)cc1
InChIInChI=1S/C13H13N3O2/c14-13(18)10-1-3-11(4-2-10)16-12(17)7-9-5-6-15-8-9/h1-6,8,15H,7H2,(H2,14,18)(H,16,17)
InChIKeyLQHKBXBLLHBPAV-UHFFFAOYSA-N
XLogP1.29
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-(1H-pyrrol-3-yl)acetamide
CID 110769236
4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
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2-(1H-pyrrol-3-yl)acetamide
CID 22722167
4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide
CID 28942422
N-(3-bromo-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769211
4-[2-(4-carbamoylanilino)-2-oxoethyl]benzenesulfinate
CID 175122811
4-[[2-(3-chlorophenyl)acetyl]amino]benzamide
CID 56922735
4-[[2-(2-methyl-1H-indol-5-yl)acetyl]amino]benzamide
CID 110703916
1H-pyrrole-3-carboxamide;hydrochloride
CID 57435535
4-[[2-(4-methoxy-3-propan-2-ylphenyl)acetyl]amino]benzamide
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4-(4-hydroxybutanoylamino)benzamide
CID 79203349
4-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]amino]benzamide
CID 110484497

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1H-pyrrol-3-yl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(1H-pyrrol-3-yl)acetyl]amino]benzamide (CID 110769227) is 4-[[2-(1H-pyrrol-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(1H-pyrrol-3-yl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(1H-pyrrol-3-yl)acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)Cc2cc[nH]c2)cc1.
What is the InChIKey of 4-[[2-(1H-pyrrol-3-yl)acetyl]amino]benzamide?
The InChIKey is LQHKBXBLLHBPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-13(18)10-1-3-11(4-2-10)16-12(17)7-9-5-6-15-8-9/h1-6,8,15H,7H2,(H2,14,18)(H,16,17).
What are the key properties of 4-[[2-(1H-pyrrol-3-yl)acetyl]amino]benzamide?
4-[[2-(1H-pyrrol-3-yl)acetyl]amino]benzamide has a molecular weight of 243.27 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1H-pyrrol-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 110769227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).