2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide

C15H20ClNO — CID 113238577

IUPAC2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide
SMILESC=C(Cl)CNC(=O)Cc1ccc(CCCC)cc1
InChIInChI=1S/C15H20ClNO/c1-3-4-5-13-6-8-14(9-7-13)10-15(18)17-11-12(2)16/h6-9H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyFVJHDVMQTCNVOV-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.44
Rot. Bonds7

About 2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide

2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide (PubChem CID 113238577) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide
PubChem CID113238577
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide
SMILESC=C(Cl)CNC(=O)Cc1ccc(CCCC)cc1
InChIInChI=1S/C15H20ClNO/c1-3-4-5-13-6-8-14(9-7-13)10-15(18)17-11-12(2)16/h6-9H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyFVJHDVMQTCNVOV-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chloroprop-2-enyl)-2-(4-sulfanylphenyl)acetamide
CID 107035066
1-(2-chloroprop-2-enyl)-4-pentylbenzene
CID 24721931
2-(4-butylphenyl)-N-(2-methylpropyl)acetamide
CID 60656279
2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide
CID 106843310
N-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide
CID 115636641
2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037146
(2S)-3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoic acid
CID 107832968
3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid
CID 62674607
N-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine
CID 113464545
3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81369144
2-(4-butylphenyl)-N-methoxyacetamide
CID 60701248
2-(4-butylphenyl)-N-(3-methylcyclopentyl)acetamide
CID 114549772

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide?
The IUPAC name of 2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide (CID 113238577) is 2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide is C=C(Cl)CNC(=O)Cc1ccc(CCCC)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide?
The InChIKey is FVJHDVMQTCNVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-3-4-5-13-6-8-14(9-7-13)10-15(18)17-11-12(2)16/h6-9H,2-5,10-11H2,1H3,(H,17,18).
What are the key properties of 2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide?
2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide has a molecular weight of 265.78 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide is sourced from PubChem (CID 113238577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).