2-chloro-N-[cyclohexylmethyl(methyl)carbamoyl]propanamide

C12H21ClN2O2 — CID 61444052

IUPAC2-chloro-N-[cyclohexylmethyl(methyl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)N(C)CC1CCCCC1
InChIInChI=1S/C12H21ClN2O2/c1-9(13)11(16)14-12(17)15(2)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,14,16,17)
InChIKeyFUKHLNZODIMVRL-UHFFFAOYSA-N
MW260.76 g/mol
LogP2.36
Rot. Bonds3

About 2-chloro-N-[cyclohexylmethyl(methyl)carbamoyl]propanamide

2-chloro-N-[cyclohexylmethyl(methyl)carbamoyl]propanamide (PubChem CID 61444052) has the molecular formula C12H21ClN2O2 and a molecular weight of 260.76 g/mol. Its IUPAC name is 2-chloro-N-[cyclohexylmethyl(methyl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[cyclohexylmethyl(methyl)carbamoyl]propanamide
PubChem CID61444052
Molecular FormulaC12H21ClN2O2
Molecular Weight260.76 g/mol
Exact Mass260.13
IUPAC Name2-chloro-N-[cyclohexylmethyl(methyl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)N(C)CC1CCCCC1
InChIInChI=1S/C12H21ClN2O2/c1-9(13)11(16)14-12(17)15(2)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,14,16,17)
InChIKeyFUKHLNZODIMVRL-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[cyclohexylmethyl(methyl)carbamoyl]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(methyl)carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[cyclohexylmethyl(methyl)carbamoyl]propanamide (CID 61444052) is 2-chloro-N-[cyclohexylmethyl(methyl)carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[cyclohexylmethyl(methyl)carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[cyclohexylmethyl(methyl)carbamoyl]propanamide is CC(Cl)C(=O)NC(=O)N(C)CC1CCCCC1.
What is the InChIKey of 2-chloro-N-[cyclohexylmethyl(methyl)carbamoyl]propanamide?
The InChIKey is FUKHLNZODIMVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O2/c1-9(13)11(16)14-12(17)15(2)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,14,16,17).
What are the key properties of 2-chloro-N-[cyclohexylmethyl(methyl)carbamoyl]propanamide?
2-chloro-N-[cyclohexylmethyl(methyl)carbamoyl]propanamide has a molecular weight of 260.76 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[cyclohexylmethyl(methyl)carbamoyl]propanamide is sourced from PubChem (CID 61444052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).