(E)-3-(3,5-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide

C16H13Cl2NO — CID 24554768

IUPAC(E)-3-(3,5-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide
SMILESCc1ccccc1NC(=O)/C=C/c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H13Cl2NO/c1-11-4-2-3-5-15(11)19-16(20)7-6-12-8-13(17)10-14(18)9-12/h2-10H,1H3,(H,19,20)/b7-6+
InChIKeyMJPZIKXAJLUCDY-VOTSOKGWSA-N
MW306.19 g/mol
LogP4.95
Rot. Bonds3

About (E)-3-(3,5-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide

(E)-3-(3,5-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide (PubChem CID 24554768) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is (E)-3-(3,5-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,5-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide
PubChem CID24554768
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name(E)-3-(3,5-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide
SMILESCc1ccccc1NC(=O)/C=C/c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H13Cl2NO/c1-11-4-2-3-5-15(11)19-16(20)7-6-12-8-13(17)10-14(18)9-12/h2-10H,1H3,(H,19,20)/b7-6+
InChIKeyMJPZIKXAJLUCDY-VOTSOKGWSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 54.95
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)-3-(3-chloro-4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 8714064
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4667675
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
(E)-3-(2-chlorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 692554
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
(E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875131
N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875130
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
N,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide
CID 110300711
(E)-N-(5-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 8502365
N-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide
CID 139612240

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,5-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide (CID 24554768) is (E)-3-(3,5-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,5-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,5-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide is Cc1ccccc1NC(=O)/C=C/c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (E)-3-(3,5-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide?
The InChIKey is MJPZIKXAJLUCDY-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c1-11-4-2-3-5-15(11)19-16(20)7-6-12-8-13(17)10-14(18)9-12/h2-10H,1H3,(H,19,20)/b7-6+.
What are the key properties of (E)-3-(3,5-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide?
(E)-3-(3,5-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide has a molecular weight of 306.19 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 24554768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).