2-chloro-N-[(2-methylcyclohexyl)methylcarbamoyl]propanamide

C12H21ClN2O2 — CID 55012133

IUPAC2-chloro-N-[(2-methylcyclohexyl)methylcarbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)NCC1CCCCC1C
InChIInChI=1S/C12H21ClN2O2/c1-8-5-3-4-6-10(8)7-14-12(17)15-11(16)9(2)13/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyPOKTYGQBGSMQCY-UHFFFAOYSA-N
MW260.76 g/mol
LogP2.27
Rot. Bonds3

About 2-chloro-N-[(2-methylcyclohexyl)methylcarbamoyl]propanamide

2-chloro-N-[(2-methylcyclohexyl)methylcarbamoyl]propanamide (PubChem CID 55012133) has the molecular formula C12H21ClN2O2 and a molecular weight of 260.76 g/mol. Its IUPAC name is 2-chloro-N-[(2-methylcyclohexyl)methylcarbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methylcyclohexyl)methylcarbamoyl]propanamide
PubChem CID55012133
Molecular FormulaC12H21ClN2O2
Molecular Weight260.76 g/mol
Exact Mass260.13
IUPAC Name2-chloro-N-[(2-methylcyclohexyl)methylcarbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)NCC1CCCCC1C
InChIInChI=1S/C12H21ClN2O2/c1-8-5-3-4-6-10(8)7-14-12(17)15-11(16)9(2)13/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyPOKTYGQBGSMQCY-UHFFFAOYSA-N
XLogP2.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 52.27
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 2-chloro-N-[(2-methylcyclohexyl)methylcarbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[(2-methylcyclohexyl)methylcarbamoyl]propanamide (CID 55012133) is 2-chloro-N-[(2-methylcyclohexyl)methylcarbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(2-methylcyclohexyl)methylcarbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[(2-methylcyclohexyl)methylcarbamoyl]propanamide is CC(Cl)C(=O)NC(=O)NCC1CCCCC1C.
What is the InChIKey of 2-chloro-N-[(2-methylcyclohexyl)methylcarbamoyl]propanamide?
The InChIKey is POKTYGQBGSMQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O2/c1-8-5-3-4-6-10(8)7-14-12(17)15-11(16)9(2)13/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-chloro-N-[(2-methylcyclohexyl)methylcarbamoyl]propanamide?
2-chloro-N-[(2-methylcyclohexyl)methylcarbamoyl]propanamide has a molecular weight of 260.76 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methylcyclohexyl)methylcarbamoyl]propanamide is sourced from PubChem (CID 55012133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).