N-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide

C16H24ClNO — CID 106354683

IUPACN-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NC(CCCl)C(C)C)c1
InChIInChI=1S/C16H24ClNO/c1-11(2)15(7-8-17)18-16(19)10-14-9-12(3)5-6-13(14)4/h5-6,9,11,15H,7-8,10H2,1-4H3,(H,18,19)
InChIKeyVPUSINFYXRBRMF-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.62
Rot. Bonds6

About N-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide

N-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide (PubChem CID 106354683) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide
PubChem CID106354683
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NC(CCCl)C(C)C)c1
InChIInChI=1S/C16H24ClNO/c1-11(2)15(7-8-17)18-16(19)10-14-9-12(3)5-6-13(14)4/h5-6,9,11,15H,7-8,10H2,1-4H3,(H,18,19)
InChIKeyVPUSINFYXRBRMF-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloro-4-methylpentan-3-yl)-2,4-dimethylbenzamide
CID 114177660
(2S)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid
CID 62538173
N-(1-chloro-4-methylpentan-3-yl)-2-(4-chlorophenyl)acetamide
CID 106354844
N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
CID 114177673
N-(1-chloro-4-methylpentan-3-yl)-3-(4-methylphenyl)propanamide
CID 106354576
2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide
CID 115662051
5-[[2-(2,5-dimethylphenyl)acetyl]amino]hexanoic acid
CID 82854155
(2S)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 62538832
2-(2,5-dimethylphenyl)-N-(1-phenylethyl)acetamide
CID 43905087
N-(1-chloro-4-methylpentan-3-yl)-3,4-dimethylbenzamide
CID 114177722
ethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate
CID 62538862
N-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide
CID 106354657

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide (CID 106354683) is N-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(CC(=O)NC(CCCl)C(C)C)c1.
What is the InChIKey of N-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is VPUSINFYXRBRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-11(2)15(7-8-17)18-16(19)10-14-9-12(3)5-6-13(14)4/h5-6,9,11,15H,7-8,10H2,1-4H3,(H,18,19).
What are the key properties of N-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide?
N-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide has a molecular weight of 281.83 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 106354683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).