3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide

C18H18ClNO — CID 3702491

IUPAC3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)NCCCc1ccccc1
InChIInChI=1S/C18H18ClNO/c19-17-11-5-4-10-16(17)12-13-18(21)20-14-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-13H,6,9,14H2,(H,20,21)
InChIKeyPOMJKDZCIANGQH-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.10
Rot. Bonds6

About 3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide

3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide (PubChem CID 3702491) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
PubChem CID3702491
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)NCCCc1ccccc1
InChIInChI=1S/C18H18ClNO/c19-17-11-5-4-10-16(17)12-13-18(21)20-14-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-13H,6,9,14H2,(H,20,21)
InChIKeyPOMJKDZCIANGQH-UHFFFAOYSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.10
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-(3-phenylpropyl)prop-2-enamide
CID 127031291
(E)-3-(2-chlorophenyl)-N-[3-(4-fluorophenyl)propyl]prop-2-enamide
CID 50874871
(E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 127030404
(E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide
CID 6077577
3-(2-chlorophenyl)-N-undecylprop-2-enamide
CID 3474839
3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 2931567
(E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 99996150
(E)-3-(2-chlorophenyl)-N-(2-pyrimidin-5-ylethyl)prop-2-enamide
CID 110208393
(E)-3-(2,6-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 732568
(E)-3-(2-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 1346266
3-(2-chlorophenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2905028
3-(2-chlorophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 77037719

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide (CID 3702491) is 3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide is O=C(C=Cc1ccccc1Cl)NCCCc1ccccc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide?
The InChIKey is POMJKDZCIANGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c19-17-11-5-4-10-16(17)12-13-18(21)20-14-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-13H,6,9,14H2,(H,20,21).
What are the key properties of 3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide?
3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide has a molecular weight of 299.80 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide is sourced from PubChem (CID 3702491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).