(E)-3-(2,3-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide

C18H17Cl2NO — CID 127031291

IUPAC(E)-3-(2,3-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1Cl)NCCCc1ccccc1
InChIInChI=1S/C18H17Cl2NO/c19-16-10-4-9-15(18(16)20)11-12-17(22)21-13-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-12H,5,8,13H2,(H,21,22)/b12-11+
InChIKeyVGZCIUXZLJIKLO-VAWYXSNFSA-N
MW334.25 g/mol
LogP4.76
Rot. Bonds6

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

(E)-3-(2,3-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide (PubChem CID 127031291) has the molecular formula C18H17Cl2NO and a molecular weight of 334.25 g/mol. Its IUPAC name is (E)-3-(2,3-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
PubChem CID127031291
Molecular FormulaC18H17Cl2NO
Molecular Weight334.25 g/mol
Exact Mass333.07
IUPAC Name(E)-3-(2,3-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1Cl)NCCCc1ccccc1
InChIInChI=1S/C18H17Cl2NO/c19-16-10-4-9-15(18(16)20)11-12-17(22)21-13-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-12H,5,8,13H2,(H,21,22)/b12-11+
InChIKeyVGZCIUXZLJIKLO-VAWYXSNFSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 127030404
3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 3702491
(E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide
CID 6077577
(E)-3-(2-chlorophenyl)-N-[3-(4-fluorophenyl)propyl]prop-2-enamide
CID 50874871
3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 2931567
(E)-3-(2,6-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 732568
3-(2,3-dichlorophenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 74607566
4-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]-2-methylbutanoic acid
CID 80538396
(E)-4-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]but-2-enoic acid
CID 112746556
3-(2-chlorophenyl)-N-undecylprop-2-enamide
CID 3474839
3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 4810838
(E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 99996150

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide (CID 127031291) is (E)-3-(2,3-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide is O=C(/C=C/c1cccc(Cl)c1Cl)NCCCc1ccccc1.
What is the InChIKey of (E)-3-(2,3-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide?
The InChIKey is VGZCIUXZLJIKLO-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H17Cl2NO/c19-16-10-4-9-15(18(16)20)11-12-17(22)21-13-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-12H,5,8,13H2,(H,21,22)/b12-11+.
What are the key properties of (E)-3-(2,3-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide?
(E)-3-(2,3-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide has a molecular weight of 334.25 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide is sourced from PubChem (CID 127031291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).