N-(2-chloro-3-methylbutyl)heptanamide

C12H24ClNO — CID 114754075

IUPACN-(2-chloro-3-methylbutyl)heptanamide
SMILESCCCCCCC(=O)NCC(Cl)C(C)C
InChIInChI=1S/C12H24ClNO/c1-4-5-6-7-8-12(15)14-9-11(13)10(2)3/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyVLUIZWRMUVRWQO-UHFFFAOYSA-N
MW233.78 g/mol
LogP3.34
Rot. Bonds8

About N-(2-chloro-3-methylbutyl)heptanamide

N-(2-chloro-3-methylbutyl)heptanamide (PubChem CID 114754075) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is N-(2-chloro-3-methylbutyl)heptanamide.

Molecular Properties

Compound NameN-(2-chloro-3-methylbutyl)heptanamide
PubChem CID114754075
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC NameN-(2-chloro-3-methylbutyl)heptanamide
SMILESCCCCCCC(=O)NCC(Cl)C(C)C
InChIInChI=1S/C12H24ClNO/c1-4-5-6-7-8-12(15)14-9-11(13)10(2)3/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyVLUIZWRMUVRWQO-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-chloro-3-methylbutyl)heptanamide 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-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
N-(2-chloro-2-cyclopropylethyl)decanamide
CID 113273435
N-(2-aminopropyl)octadecanamide
CID 86003506
3-methyl-2-[(octanoylamino)methyl]butanoic acid
CID 65215548
N-(4-chloro-2-methylbutyl)nonanamide
CID 114306121
methyl 2-chloro-3-(decanoylamino)propanoate
CID 103492807
N-(3-chlorobutyl)heptanamide
CID 114753993
N-(2-chloro-4,4-dimethylpentyl)heptanamide
CID 107156793
N-(2-methylpentyl)hexanamide
CID 173325003
N-(2-hydroxypropyl)dodecanamide;phosphoric acid
CID 175492996
N-(2-ethoxypropyl)dodecanamide
CID 173205784

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methylbutyl)heptanamide?
The IUPAC name of N-(2-chloro-3-methylbutyl)heptanamide (CID 114754075) is N-(2-chloro-3-methylbutyl)heptanamide.
What is the SMILES notation for N-(2-chloro-3-methylbutyl)heptanamide?
The canonical SMILES for N-(2-chloro-3-methylbutyl)heptanamide is CCCCCCC(=O)NCC(Cl)C(C)C.
What is the InChIKey of N-(2-chloro-3-methylbutyl)heptanamide?
The InChIKey is VLUIZWRMUVRWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-4-5-6-7-8-12(15)14-9-11(13)10(2)3/h10-11H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(2-chloro-3-methylbutyl)heptanamide?
N-(2-chloro-3-methylbutyl)heptanamide has a molecular weight of 233.78 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methylbutyl)heptanamide is sourced from PubChem (CID 114754075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).