(E)-N-(3-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide

C17H16ClNO — CID 9414069

IUPAC(E)-N-(3-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(/C=C/C(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C17H16ClNO/c1-12-5-3-6-14(11-12)9-10-17(20)19-16-8-4-7-15(18)13(16)2/h3-11H,1-2H3,(H,19,20)/b10-9+
InChIKeyYHDPQCHBHRTZMZ-MDZDMXLPSA-N
MW285.77 g/mol
LogP4.61
Rot. Bonds3

About (E)-N-(3-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide

(E)-N-(3-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide (PubChem CID 9414069) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is (E)-N-(3-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide
PubChem CID9414069
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name(E)-N-(3-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(/C=C/C(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C17H16ClNO/c1-12-5-3-6-14(11-12)9-10-17(20)19-16-8-4-7-15(18)13(16)2/h3-11H,1-2H3,(H,19,20)/b10-9+
InChIKeyYHDPQCHBHRTZMZ-MDZDMXLPSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.61
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-bromophenyl)-N-(3-chloro-2-methylphenyl)prop-2-enamide
CID 2671445
1-(3-chloro-2-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905323
(E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 792205
(E)-N-(5-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 8502365
[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] (E)-3-(3-methylphenyl)prop-2-enoate
CID 8955861
[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] (E)-3-(3-methylphenyl)prop-2-enoate
CID 8955864
(E)-4-(3-chloro-2-methylanilino)-4-oxobut-2-enoic acid
CID 2143440
4-(3-chloro-2-methylanilino)-4-oxobut-2-enoate
CID 4622358
(E)-N-[(3-chloro-2-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 905189
(E)-N-(3-chloro-2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 896718
(E)-N-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 8780485
(E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 8763498

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide (CID 9414069) is (E)-N-(3-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide is Cc1cccc(/C=C/C(=O)Nc2cccc(Cl)c2C)c1.
What is the InChIKey of (E)-N-(3-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide?
The InChIKey is YHDPQCHBHRTZMZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-12-5-3-6-14(11-12)9-10-17(20)19-16-8-4-7-15(18)13(16)2/h3-11H,1-2H3,(H,19,20)/b10-9+.
What are the key properties of (E)-N-(3-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide?
(E)-N-(3-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide has a molecular weight of 285.77 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 9414069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).