3-chloro-N-[(2-methylcyclohexyl)carbamoyl]propanamide

C11H19ClN2O2 — CID 43089768

IUPAC3-chloro-N-[(2-methylcyclohexyl)carbamoyl]propanamide
SMILESCC1CCCCC1NC(=O)NC(=O)CCCl
InChIInChI=1S/C11H19ClN2O2/c1-8-4-2-3-5-9(8)13-11(16)14-10(15)6-7-12/h8-9H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyOTXIKQOAMHTZII-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.02
Rot. Bonds3

About 3-chloro-N-[(2-methylcyclohexyl)carbamoyl]propanamide

3-chloro-N-[(2-methylcyclohexyl)carbamoyl]propanamide (PubChem CID 43089768) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 3-chloro-N-[(2-methylcyclohexyl)carbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(2-methylcyclohexyl)carbamoyl]propanamide
PubChem CID43089768
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name3-chloro-N-[(2-methylcyclohexyl)carbamoyl]propanamide
SMILESCC1CCCCC1NC(=O)NC(=O)CCCl
InChIInChI=1S/C11H19ClN2O2/c1-8-4-2-3-5-9(8)13-11(16)14-10(15)6-7-12/h8-9H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyOTXIKQOAMHTZII-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-methylcyclohexyl)carbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[(2-methylcyclohexyl)carbamoyl]propanamide (CID 43089768) is 3-chloro-N-[(2-methylcyclohexyl)carbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(2-methylcyclohexyl)carbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[(2-methylcyclohexyl)carbamoyl]propanamide is CC1CCCCC1NC(=O)NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-[(2-methylcyclohexyl)carbamoyl]propanamide?
The InChIKey is OTXIKQOAMHTZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c1-8-4-2-3-5-9(8)13-11(16)14-10(15)6-7-12/h8-9H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 3-chloro-N-[(2-methylcyclohexyl)carbamoyl]propanamide?
3-chloro-N-[(2-methylcyclohexyl)carbamoyl]propanamide has a molecular weight of 246.74 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-methylcyclohexyl)carbamoyl]propanamide is sourced from PubChem (CID 43089768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).