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

C9H8ClNO — CID 909679

IUPAC(E)-2-chloro-3-phenylprop-2-enamide
SMILESNC(=O)/C(Cl)=C\c1ccccc1
InChIInChI=1S/C9H8ClNO/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12)/b8-6+
InChIKeyCBUADRLVGGSMNQ-SOFGYWHQSA-N
MW181.62 g/mol
LogP1.75
Rot. Bonds2

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

(E)-2-chloro-3-phenylprop-2-enamide (PubChem CID 909679) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is (E)-2-chloro-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-chloro-3-phenylprop-2-enamide
PubChem CID909679
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name(E)-2-chloro-3-phenylprop-2-enamide
SMILESNC(=O)/C(Cl)=C\c1ccccc1
InChIInChI=1S/C9H8ClNO/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12)/b8-6+
InChIKeyCBUADRLVGGSMNQ-SOFGYWHQSA-N
XLogP1.75
TPSA43.09 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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-phenylprop-2-enamide
CID 70617640
2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one
CID 66616036
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
(E)-2-chloro-3-phenyl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 909634
(Z)-2-methyl-3-phenylprop-2-enoyl chloride
CID 5355069
2-(fluoromethyl)-3-phenylprop-2-enamide
CID 151130923
2-benzylidenebutanediamide
CID 141083330
(2E)-2-benzylidene-3-methylbutanamide
CID 20836396
2-benzylidene-3,3-dimethylbutanamide
CID 67615260
(E,5R)-2-chloro-5-hydroxy-1-phenylhex-1-en-3-one
CID 177494655
2-phenoxy-3-phenylprop-2-enamide
CID 70366581
3-phenyl-2-(sulfonylmethyl)prop-2-enamide
CID 87661438

Frequently Asked Questions

What is the IUPAC name of (E)-2-chloro-3-phenylprop-2-enamide?
The IUPAC name of (E)-2-chloro-3-phenylprop-2-enamide (CID 909679) is (E)-2-chloro-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-chloro-3-phenylprop-2-enamide?
The canonical SMILES for (E)-2-chloro-3-phenylprop-2-enamide is NC(=O)/C(Cl)=C\c1ccccc1.
What is the InChIKey of (E)-2-chloro-3-phenylprop-2-enamide?
The InChIKey is CBUADRLVGGSMNQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H8ClNO/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12)/b8-6+.
What are the key properties of (E)-2-chloro-3-phenylprop-2-enamide?
(E)-2-chloro-3-phenylprop-2-enamide has a molecular weight of 181.62 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-chloro-3-phenylprop-2-enamide is sourced from PubChem (CID 909679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).