3-(4-chlorophenyl)-N-decylprop-2-enamide

C19H28ClNO — CID 4172877

IUPAC3-(4-chlorophenyl)-N-decylprop-2-enamide
SMILESCCCCCCCCCCNC(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C19H28ClNO/c1-2-3-4-5-6-7-8-9-16-21-19(22)15-12-17-10-13-18(20)14-11-17/h10-15H,2-9,16H2,1H3,(H,21,22)
InChIKeyJUJDCIFAGNGULD-UHFFFAOYSA-N
MW321.89 g/mol
LogP5.61
Rot. Bonds11

About 3-(4-chlorophenyl)-N-decylprop-2-enamide

3-(4-chlorophenyl)-N-decylprop-2-enamide (PubChem CID 4172877) has the molecular formula C19H28ClNO and a molecular weight of 321.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-decylprop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-decylprop-2-enamide
PubChem CID4172877
Molecular FormulaC19H28ClNO
Molecular Weight321.89 g/mol
Exact Mass321.19
IUPAC Name3-(4-chlorophenyl)-N-decylprop-2-enamide
SMILESCCCCCCCCCCNC(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C19H28ClNO/c1-2-3-4-5-6-7-8-9-16-21-19(22)15-12-17-10-13-18(20)14-11-17/h10-15H,2-9,16H2,1H3,(H,21,22)
InChIKeyJUJDCIFAGNGULD-UHFFFAOYSA-N
XLogP5.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.89
LogP ≤ 55.61
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-(4-chlorophenyl)-N-undecylprop-2-enamide
CID 6006406
(E)-3-(4-methylphenyl)-N-octylprop-2-enamide
CID 6042816
3-(4-methylphenyl)-N-octylprop-2-enamide
CID 4229517
N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4115175
(E)-3-(4-bromophenyl)-N-hexylprop-2-enamide
CID 6024199
3-(4-methylphenyl)-N-pentylprop-2-enamide
CID 3568321
3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604
N-butyl-3-(4-hydroxyphenyl)prop-2-enamide
CID 56978455
(E)-3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]prop-2-enamide
CID 110440061
3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 2931567
ethyl 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate
CID 47437704
3-(2-chlorophenyl)-N-undecylprop-2-enamide
CID 3474839

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-decylprop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-decylprop-2-enamide (CID 4172877) is 3-(4-chlorophenyl)-N-decylprop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-decylprop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-decylprop-2-enamide is CCCCCCCCCCNC(=O)C=Cc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-decylprop-2-enamide?
The InChIKey is JUJDCIFAGNGULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClNO/c1-2-3-4-5-6-7-8-9-16-21-19(22)15-12-17-10-13-18(20)14-11-17/h10-15H,2-9,16H2,1H3,(H,21,22).
What are the key properties of 3-(4-chlorophenyl)-N-decylprop-2-enamide?
3-(4-chlorophenyl)-N-decylprop-2-enamide has a molecular weight of 321.89 g/mol, XLogP of 5.61, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-decylprop-2-enamide is sourced from PubChem (CID 4172877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).