(E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

C19H20ClNO — CID 792205

IUPAC(E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCc1c(Cl)cccc1NC(=O)/C=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C19H20ClNO/c1-13(2)16-10-7-15(8-11-16)9-12-19(22)21-18-6-4-5-17(20)14(18)3/h4-13H,1-3H3,(H,21,22)/b12-9+
InChIKeyNEEDRLQLSJQTPG-FMIVXFBMSA-N
MW313.83 g/mol
LogP5.42
Rot. Bonds4

About (E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

(E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 792205) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is (E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID792205
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name(E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCc1c(Cl)cccc1NC(=O)/C=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C19H20ClNO/c1-13(2)16-10-7-15(8-11-16)9-12-19(22)21-18-6-4-5-17(20)14(18)3/h4-13H,1-3H3,(H,21,22)/b12-9+
InChIKeyNEEDRLQLSJQTPG-FMIVXFBMSA-N
XLogP5.42
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 ≤ 55.42
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

N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4667675
(E)-N-(3-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 9414069
(E)-3-(3-bromophenyl)-N-(3-chloro-2-methylphenyl)prop-2-enamide
CID 2671445
N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1376965
(E)-N-[2-(4-methylanilino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 108767317
(E)-N-[(3-chloro-2-methylphenyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
CID 1345426
(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
N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5059127
(E)-N-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 8780485

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 792205) is (E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is Cc1c(Cl)cccc1NC(=O)/C=C/c1ccc(C(C)C)cc1.
What is the InChIKey of (E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is NEEDRLQLSJQTPG-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-13(2)16-10-7-15(8-11-16)9-12-19(22)21-18-6-4-5-17(20)14(18)3/h4-13H,1-3H3,(H,21,22)/b12-9+.
What are the key properties of (E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 313.83 g/mol, XLogP of 5.42, 4 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-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 792205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).