2-[[(E)-4-hydroxybut-2-enoyl]amino]benzamide

C11H12N2O3 — CID 144832768

IUPAC2-[[(E)-4-hydroxybut-2-enoyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)/C=C/CO
InChIInChI=1S/C11H12N2O3/c12-11(16)8-4-1-2-5-9(8)13-10(15)6-3-7-14/h1-6,14H,7H2,(H2,12,16)(H,13,15)/b6-3+
InChIKeyJZOZIZRAMKRKIR-ZZXKWVIFSA-N
MW220.23 g/mol
LogP0.27
Rot. Bonds4

About 2-[[(E)-4-hydroxybut-2-enoyl]amino]benzamide

2-[[(E)-4-hydroxybut-2-enoyl]amino]benzamide (PubChem CID 144832768) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[[(E)-4-hydroxybut-2-enoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(E)-4-hydroxybut-2-enoyl]amino]benzamide
PubChem CID144832768
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-[[(E)-4-hydroxybut-2-enoyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)/C=C/CO
InChIInChI=1S/C11H12N2O3/c12-11(16)8-4-1-2-5-9(8)13-10(15)6-3-7-14/h1-6,14H,7H2,(H2,12,16)(H,13,15)/b6-3+
InChIKeyJZOZIZRAMKRKIR-ZZXKWVIFSA-N
XLogP0.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(E)-4-[(4-methoxycyclohexyl)amino]but-2-enoyl]amino]benzamide
CID 166524286
2-(3-aminopropanoylamino)benzamide
CID 22692052
methyl 3-(2-carbamoylanilino)-3-oxopropanoate
CID 25049818
2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 6014839
2-aminoacetic acid;2-[(2-hydroxyacetyl)amino]benzamide
CID 175957439
2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 6967475
2-[[(E)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enoyl]amino]benzamide
CID 134012371
2-benzamidobenzamide
CID 702115
2-(chloroamino)benzamide
CID 54562633
2-(7-chloroheptanoylamino)benzamide
CID 139930503
ethyl 4-[(E)-3-(2-carbamoylanilino)-3-oxoprop-1-enyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 51278162
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-4-hydroxybut-2-enoyl]amino]benzamide?
The IUPAC name of 2-[[(E)-4-hydroxybut-2-enoyl]amino]benzamide (CID 144832768) is 2-[[(E)-4-hydroxybut-2-enoyl]amino]benzamide.
What is the SMILES notation for 2-[[(E)-4-hydroxybut-2-enoyl]amino]benzamide?
The canonical SMILES for 2-[[(E)-4-hydroxybut-2-enoyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)/C=C/CO.
What is the InChIKey of 2-[[(E)-4-hydroxybut-2-enoyl]amino]benzamide?
The InChIKey is JZOZIZRAMKRKIR-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H12N2O3/c12-11(16)8-4-1-2-5-9(8)13-10(15)6-3-7-14/h1-6,14H,7H2,(H2,12,16)(H,13,15)/b6-3+.
What are the key properties of 2-[[(E)-4-hydroxybut-2-enoyl]amino]benzamide?
2-[[(E)-4-hydroxybut-2-enoyl]amino]benzamide has a molecular weight of 220.23 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-4-hydroxybut-2-enoyl]amino]benzamide is sourced from PubChem (CID 144832768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).