2-chloro-5-(prop-2-enoylamino)benzamide

C10H9ClN2O2 — CID 43699183

IUPAC2-chloro-5-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C10H9ClN2O2/c1-2-9(14)13-6-3-4-8(11)7(5-6)10(12)15/h2-5H,1H2,(H2,12,15)(H,13,14)
InChIKeyJMRBZRLYPWDXCG-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.56
Rot. Bonds3

About 2-chloro-5-(prop-2-enoylamino)benzamide

2-chloro-5-(prop-2-enoylamino)benzamide (PubChem CID 43699183) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-chloro-5-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-5-(prop-2-enoylamino)benzamide
PubChem CID43699183
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name2-chloro-5-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C10H9ClN2O2/c1-2-9(14)13-6-3-4-8(11)7(5-6)10(12)15/h2-5H,1H2,(H2,12,15)(H,13,14)
InChIKeyJMRBZRLYPWDXCG-UHFFFAOYSA-N
XLogP1.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-aminobutanoylamino)-2-chlorobenzamide
CID 43707268
5-(6-aminohexanoylamino)-2-chlorobenzamide
CID 43707251
N-[4-chloro-3-(cyanomethyl)phenyl]prop-2-enamide
CID 138106027
2-chloro-5-(2-methoxypropanoylamino)benzamide
CID 47303789
N-(4-amino-3-methylphenyl)prop-2-enamide
CID 90104581
5-[(2-bromo-3-methylbutanoyl)amino]-2-chlorobenzamide
CID 43699184
[4-(prop-2-enoylamino)phenyl]mercury
CID 67534138
[amino-[4-(prop-2-enoylamino)phenyl]methylidene]azanium
CID 137274434
5-[(3-aminobenzoyl)amino]-2-chlorobenzamide
CID 43707245
5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide
CID 104897291
N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80626101
5-[(2-bromo-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 103763706

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(prop-2-enoylamino)benzamide?
The IUPAC name of 2-chloro-5-(prop-2-enoylamino)benzamide (CID 43699183) is 2-chloro-5-(prop-2-enoylamino)benzamide.
What is the SMILES notation for 2-chloro-5-(prop-2-enoylamino)benzamide?
The canonical SMILES for 2-chloro-5-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1ccc(Cl)c(C(N)=O)c1.
What is the InChIKey of 2-chloro-5-(prop-2-enoylamino)benzamide?
The InChIKey is JMRBZRLYPWDXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-2-9(14)13-6-3-4-8(11)7(5-6)10(12)15/h2-5H,1H2,(H2,12,15)(H,13,14).
What are the key properties of 2-chloro-5-(prop-2-enoylamino)benzamide?
2-chloro-5-(prop-2-enoylamino)benzamide has a molecular weight of 224.65 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 43699183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).