2-chloro-N-phenyl-N-prop-2-enylpropanamide

C12H14ClNO — CID 14417035

IUPAC2-chloro-N-phenyl-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)C(C)Cl)c1ccccc1
InChIInChI=1S/C12H14ClNO/c1-3-9-14(12(15)10(2)13)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3
InChIKeyUGNFAJPNYZMCFV-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.83
Rot. Bonds4

About 2-chloro-N-phenyl-N-prop-2-enylpropanamide

2-chloro-N-phenyl-N-prop-2-enylpropanamide (PubChem CID 14417035) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 2-chloro-N-phenyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-chloro-N-phenyl-N-prop-2-enylpropanamide
PubChem CID14417035
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name2-chloro-N-phenyl-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)C(C)Cl)c1ccccc1
InChIInChI=1S/C12H14ClNO/c1-3-9-14(12(15)10(2)13)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3
InChIKeyUGNFAJPNYZMCFV-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trichloro-N-phenyl-N-prop-2-enylacetamide
CID 10901943
N-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline
CID 142821122
2-chloro-N-(2-methoxyethyl)-N-phenylpropanamide
CID 23325989
2-(3-fluorophenoxy)-N-phenyl-N-prop-2-enylpropanamide
CID 78852544
2-chloro-N-hydroxy-N-phenylpropanamide
CID 57100198
2-[2-[[phenyl(prop-2-enyl)carbamothioyl]amino]phenyl]propanoic acid
CID 139975631
N-phenyl-N-prop-2-enylcyclopropanecarboxamide
CID 78836355
(2R)-2-amino-N-(2-oxoethyl)-N-phenylpropanamide
CID 54216940
2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide
CID 118052424
tert-butyl N-[1-oxo-1-(N-prop-2-enylanilino)pent-4-en-2-yl]carbamate
CID 77475220
N-ethyl-N-phenyl-N',N'-bis(prop-2-enyl)oxamide
CID 108516722
(2R)-2-methyl-N,N-diphenylpent-4-enamide
CID 24809395

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-phenyl-N-prop-2-enylpropanamide?
The IUPAC name of 2-chloro-N-phenyl-N-prop-2-enylpropanamide (CID 14417035) is 2-chloro-N-phenyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-chloro-N-phenyl-N-prop-2-enylpropanamide?
The canonical SMILES for 2-chloro-N-phenyl-N-prop-2-enylpropanamide is C=CCN(C(=O)C(C)Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-phenyl-N-prop-2-enylpropanamide?
The InChIKey is UGNFAJPNYZMCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-3-9-14(12(15)10(2)13)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3.
What are the key properties of 2-chloro-N-phenyl-N-prop-2-enylpropanamide?
2-chloro-N-phenyl-N-prop-2-enylpropanamide has a molecular weight of 223.70 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-phenyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 14417035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).