(E)-N-chloro-3-phenylprop-2-enamide

C9H8ClNO — CID 18537372

IUPAC(E)-N-chloro-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCl
InChIInChI=1S/C9H8ClNO/c10-11-9(12)7-6-8-4-2-1-3-5-8/h1-7H,(H,11,12)/b7-6+
InChIKeyHGQMSPLPPRDWQA-VOTSOKGWSA-N
MW181.62 g/mol
LogP1.97
Rot. Bonds2

About (E)-N-chloro-3-phenylprop-2-enamide

(E)-N-chloro-3-phenylprop-2-enamide (PubChem CID 18537372) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is (E)-N-chloro-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-chloro-3-phenylprop-2-enamide
PubChem CID18537372
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name(E)-N-chloro-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCl
InChIInChI=1S/C9H8ClNO/c10-11-9(12)7-6-8-4-2-1-3-5-8/h1-7H,(H,11,12)/b7-6+
InChIKeyHGQMSPLPPRDWQA-VOTSOKGWSA-N
XLogP1.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-chloro-3-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide
CID 70432340
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
3-phenyl-N-thionitrosoprop-2-enamide
CID 91610394
(E)-3-phenyl-N-[(Z)-prop-1-enyl]prop-2-enamide
CID 134845600
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040

Frequently Asked Questions

What is the IUPAC name of (E)-N-chloro-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-chloro-3-phenylprop-2-enamide (CID 18537372) is (E)-N-chloro-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-chloro-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-chloro-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCl.
What is the InChIKey of (E)-N-chloro-3-phenylprop-2-enamide?
The InChIKey is HGQMSPLPPRDWQA-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H8ClNO/c10-11-9(12)7-6-8-4-2-1-3-5-8/h1-7H,(H,11,12)/b7-6+.
What are the key properties of (E)-N-chloro-3-phenylprop-2-enamide?
(E)-N-chloro-3-phenylprop-2-enamide has a molecular weight of 181.62 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-chloro-3-phenylprop-2-enamide is sourced from PubChem (CID 18537372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).