2-chloro-N-(cyclohexylmethyl)propanamide

C10H18ClNO — CID 3830970

IUPAC2-chloro-N-(cyclohexylmethyl)propanamide
SMILESCC(Cl)C(=O)NCC1CCCCC1
InChIInChI=1S/C10H18ClNO/c1-8(11)10(13)12-7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyMMDLAOWBVVETGY-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.31
Rot. Bonds3

About 2-chloro-N-(cyclohexylmethyl)propanamide

2-chloro-N-(cyclohexylmethyl)propanamide (PubChem CID 3830970) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 2-chloro-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(cyclohexylmethyl)propanamide
PubChem CID3830970
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name2-chloro-N-(cyclohexylmethyl)propanamide
SMILESCC(Cl)C(=O)NCC1CCCCC1
InChIInChI=1S/C10H18ClNO/c1-8(11)10(13)12-7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyMMDLAOWBVVETGY-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(cyclohexylmethyl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclohexylmethyl)propanamide?
The IUPAC name of 2-chloro-N-(cyclohexylmethyl)propanamide (CID 3830970) is 2-chloro-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for 2-chloro-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for 2-chloro-N-(cyclohexylmethyl)propanamide is CC(Cl)C(=O)NCC1CCCCC1.
What is the InChIKey of 2-chloro-N-(cyclohexylmethyl)propanamide?
The InChIKey is MMDLAOWBVVETGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-8(11)10(13)12-7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-chloro-N-(cyclohexylmethyl)propanamide?
2-chloro-N-(cyclohexylmethyl)propanamide has a molecular weight of 203.71 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 3830970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).