N-cyclohexyl-N-propan-2-ylcarbamoyl chloride

C10H18ClNO — CID 21185201

IUPACN-cyclohexyl-N-propan-2-ylcarbamoyl chloride
SMILESCC(C)N(C(=O)Cl)C1CCCCC1
InChIInChI=1S/C10H18ClNO/c1-8(2)12(10(11)13)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyKHAMSOPQAFGFHX-UHFFFAOYSA-N
MW203.71 g/mol
LogP3.39
Rot. Bonds2

About N-cyclohexyl-N-propan-2-ylcarbamoyl chloride

N-cyclohexyl-N-propan-2-ylcarbamoyl chloride (PubChem CID 21185201) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is N-cyclohexyl-N-propan-2-ylcarbamoyl chloride.

Molecular Properties

Compound NameN-cyclohexyl-N-propan-2-ylcarbamoyl chloride
PubChem CID21185201
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC NameN-cyclohexyl-N-propan-2-ylcarbamoyl chloride
SMILESCC(C)N(C(=O)Cl)C1CCCCC1
InChIInChI=1S/C10H18ClNO/c1-8(2)12(10(11)13)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyKHAMSOPQAFGFHX-UHFFFAOYSA-N
XLogP3.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-cyclohexyl-N-propan-2-ylcarbamoyl chloride 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 N-cyclohexyl-N-propan-2-ylcarbamoyl chloride?
The IUPAC name of N-cyclohexyl-N-propan-2-ylcarbamoyl chloride (CID 21185201) is N-cyclohexyl-N-propan-2-ylcarbamoyl chloride.
What is the SMILES notation for N-cyclohexyl-N-propan-2-ylcarbamoyl chloride?
The canonical SMILES for N-cyclohexyl-N-propan-2-ylcarbamoyl chloride is CC(C)N(C(=O)Cl)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-propan-2-ylcarbamoyl chloride?
The InChIKey is KHAMSOPQAFGFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-8(2)12(10(11)13)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-N-propan-2-ylcarbamoyl chloride?
N-cyclohexyl-N-propan-2-ylcarbamoyl chloride has a molecular weight of 203.71 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-propan-2-ylcarbamoyl chloride is sourced from PubChem (CID 21185201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).