N-(1-chloro-4-methylpentan-3-yl)-2-cycloheptylacetamide

C15H28ClNO — CID 106354818

IUPACN-(1-chloro-4-methylpentan-3-yl)-2-cycloheptylacetamide
SMILESCC(C)C(CCCl)NC(=O)CC1CCCCCC1
InChIInChI=1S/C15H28ClNO/c1-12(2)14(9-10-16)17-15(18)11-13-7-5-3-4-6-8-13/h12-14H,3-11H2,1-2H3,(H,17,18)
InChIKeyPBTPBZFQRHFBHB-UHFFFAOYSA-N
MW273.85 g/mol
LogP4.12
Rot. Bonds6

About N-(1-chloro-4-methylpentan-3-yl)-2-cycloheptylacetamide

N-(1-chloro-4-methylpentan-3-yl)-2-cycloheptylacetamide (PubChem CID 106354818) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-3-yl)-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-3-yl)-2-cycloheptylacetamide
PubChem CID106354818
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC NameN-(1-chloro-4-methylpentan-3-yl)-2-cycloheptylacetamide
SMILESCC(C)C(CCCl)NC(=O)CC1CCCCCC1
InChIInChI=1S/C15H28ClNO/c1-12(2)14(9-10-16)17-15(18)11-13-7-5-3-4-6-8-13/h12-14H,3-11H2,1-2H3,(H,17,18)
InChIKeyPBTPBZFQRHFBHB-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-chloro-4-methylpentan-3-yl)-2-cycloheptylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-chloro-3-methylbutan-2-yl)-2-cyclopentylacetamide
CID 114305487
N-(1-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide
CID 106354559
2-cyclobutyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 103164734
2-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 79252136
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
CID 120507495
N-(1-bromopropan-2-yl)-2-cycloheptylacetamide
CID 114459087
N-(4-chloro-1-methoxybutan-2-yl)-2-cyclobutylacetamide
CID 106155742
N-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide
CID 106355007
(2S)-2-[2-[(2-cyclohexylacetyl)amino]propanoylamino]-3-methylbutanoic acid
CID 119359472
(2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid
CID 104928854
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide
CID 106356110

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-3-yl)-2-cycloheptylacetamide?
The IUPAC name of N-(1-chloro-4-methylpentan-3-yl)-2-cycloheptylacetamide (CID 106354818) is N-(1-chloro-4-methylpentan-3-yl)-2-cycloheptylacetamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-3-yl)-2-cycloheptylacetamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-3-yl)-2-cycloheptylacetamide is CC(C)C(CCCl)NC(=O)CC1CCCCCC1.
What is the InChIKey of N-(1-chloro-4-methylpentan-3-yl)-2-cycloheptylacetamide?
The InChIKey is PBTPBZFQRHFBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO/c1-12(2)14(9-10-16)17-15(18)11-13-7-5-3-4-6-8-13/h12-14H,3-11H2,1-2H3,(H,17,18).
What are the key properties of N-(1-chloro-4-methylpentan-3-yl)-2-cycloheptylacetamide?
N-(1-chloro-4-methylpentan-3-yl)-2-cycloheptylacetamide has a molecular weight of 273.85 g/mol, XLogP of 4.12, 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-cycloheptylacetamide is sourced from PubChem (CID 106354818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).