(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethylphenyl)prop-2-enamide

C19H20ClNO — CID 18278830

IUPAC(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1
InChIInChI=1S/C19H20ClNO/c1-4-15-5-7-16(8-6-15)9-10-18(22)21-19-14(3)11-13(2)12-17(19)20/h5-12H,4H2,1-3H3,(H,21,22)/b10-9+
InChIKeyJHKRMZPKRQSFQS-MDZDMXLPSA-N
MW313.83 g/mol
LogP5.17
Rot. Bonds4

About (E)-N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethylphenyl)prop-2-enamide

(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethylphenyl)prop-2-enamide (PubChem CID 18278830) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is (E)-N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethylphenyl)prop-2-enamide
PubChem CID18278830
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1
InChIInChI=1S/C19H20ClNO/c1-4-15-5-7-16(8-6-15)9-10-18(22)21-19-14(3)11-13(2)12-17(19)20/h5-12H,4H2,1-3H3,(H,21,22)/b10-9+
InChIKeyJHKRMZPKRQSFQS-MDZDMXLPSA-N
XLogP5.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.83
LogP ≤ 55.17
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

(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 1178503
N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 731582
(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 731583
(E)-3-(4-bromophenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 896371
N-(2-chloro-4,6-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 3929869
4-(2-chloro-4,6-dimethylanilino)-4-oxobut-2-enoic acid
CID 1238732
N-(2-chloro-4,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 4611479
(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2673717
3-(3,4-dichlorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 3605032
(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
CID 143411738
N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 3643097
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7844747

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethylphenyl)prop-2-enamide (CID 18278830) is (E)-N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethylphenyl)prop-2-enamide is CCc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1.
What is the InChIKey of (E)-N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethylphenyl)prop-2-enamide?
The InChIKey is JHKRMZPKRQSFQS-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-4-15-5-7-16(8-6-15)9-10-18(22)21-19-14(3)11-13(2)12-17(19)20/h5-12H,4H2,1-3H3,(H,21,22)/b10-9+.
What are the key properties of (E)-N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethylphenyl)prop-2-enamide?
(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethylphenyl)prop-2-enamide has a molecular weight of 313.83 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 18278830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).