(E)-N-(5-chloro-2-ethylphenyl)-N-methylpent-3-enamide

C14H18ClNO — CID 142238055

IUPAC(E)-N-(5-chloro-2-ethylphenyl)-N-methylpent-3-enamide
SMILESC/C=C/CC(=O)N(C)c1cc(Cl)ccc1CC
InChIInChI=1S/C14H18ClNO/c1-4-6-7-14(17)16(3)13-10-12(15)9-8-11(13)5-2/h4,6,8-10H,5,7H2,1-3H3/b6-4+
InChIKeyAQXCAMWHENJSPX-GQCTYLIASA-N
MW251.76 g/mol
LogP3.83
Rot. Bonds4

About (E)-N-(5-chloro-2-ethylphenyl)-N-methylpent-3-enamide

(E)-N-(5-chloro-2-ethylphenyl)-N-methylpent-3-enamide (PubChem CID 142238055) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is (E)-N-(5-chloro-2-ethylphenyl)-N-methylpent-3-enamide.

Molecular Properties

Compound Name(E)-N-(5-chloro-2-ethylphenyl)-N-methylpent-3-enamide
PubChem CID142238055
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name(E)-N-(5-chloro-2-ethylphenyl)-N-methylpent-3-enamide
SMILESC/C=C/CC(=O)N(C)c1cc(Cl)ccc1CC
InChIInChI=1S/C14H18ClNO/c1-4-6-7-14(17)16(3)13-10-12(15)9-8-11(13)5-2/h4,6,8-10H,5,7H2,1-3H3/b6-4+
InChIKeyAQXCAMWHENJSPX-GQCTYLIASA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide
CID 82082325
4-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide
CID 115155218
3-amino-N-(2,4-dichlorophenyl)-N-methylpropanamide
CID 28795222
N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide
CID 107465588
4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide
CID 115156651
1-bromo-3-(4-chloro-2-ethylphenyl)propan-2-one
CID 134616753
(2,4-dichlorophenyl) pent-3-enoate
CID 174799390
1-but-2-enyl-2,4-dichlorobenzene
CID 70272980
3-cyano-N-(2,4-dichlorophenyl)-N-methylpropanamide
CID 115173703
4-chloro-1-ethyl-2-propylbenzene
CID 144500548
2-amino-N-(2,5-dichlorophenyl)-N-ethylacetamide
CID 28794924
2-(2,4-dichlorophenyl)-N-methylacetohydrazide
CID 116844869

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-chloro-2-ethylphenyl)-N-methylpent-3-enamide?
The IUPAC name of (E)-N-(5-chloro-2-ethylphenyl)-N-methylpent-3-enamide (CID 142238055) is (E)-N-(5-chloro-2-ethylphenyl)-N-methylpent-3-enamide.
What is the SMILES notation for (E)-N-(5-chloro-2-ethylphenyl)-N-methylpent-3-enamide?
The canonical SMILES for (E)-N-(5-chloro-2-ethylphenyl)-N-methylpent-3-enamide is C/C=C/CC(=O)N(C)c1cc(Cl)ccc1CC.
What is the InChIKey of (E)-N-(5-chloro-2-ethylphenyl)-N-methylpent-3-enamide?
The InChIKey is AQXCAMWHENJSPX-GQCTYLIASA-N. The full InChI is InChI=1S/C14H18ClNO/c1-4-6-7-14(17)16(3)13-10-12(15)9-8-11(13)5-2/h4,6,8-10H,5,7H2,1-3H3/b6-4+.
What are the key properties of (E)-N-(5-chloro-2-ethylphenyl)-N-methylpent-3-enamide?
(E)-N-(5-chloro-2-ethylphenyl)-N-methylpent-3-enamide has a molecular weight of 251.76 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-chloro-2-ethylphenyl)-N-methylpent-3-enamide is sourced from PubChem (CID 142238055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).