N-cyclohexyl-N-ethylcarbamoyl chloride

C9H16ClNO — CID 11332952

IUPACN-cyclohexyl-N-ethylcarbamoyl chloride
SMILESCCN(C(=O)Cl)C1CCCCC1
InChIInChI=1S/C9H16ClNO/c1-2-11(9(10)12)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyONKIPJDBUYZQMP-UHFFFAOYSA-N
MW189.69 g/mol
LogP3.00
Rot. Bonds2

About N-cyclohexyl-N-ethylcarbamoyl chloride

N-cyclohexyl-N-ethylcarbamoyl chloride (PubChem CID 11332952) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is N-cyclohexyl-N-ethylcarbamoyl chloride.

Molecular Properties

Compound NameN-cyclohexyl-N-ethylcarbamoyl chloride
PubChem CID11332952
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC NameN-cyclohexyl-N-ethylcarbamoyl chloride
SMILESCCN(C(=O)Cl)C1CCCCC1
InChIInChI=1S/C9H16ClNO/c1-2-11(9(10)12)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyONKIPJDBUYZQMP-UHFFFAOYSA-N
XLogP3.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 53.00
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'}

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Related Compounds

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Acetamide, N-cyclohexyl-N-methyl-
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N-cyclohexyl-N-methylcarbamoyl chloride
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2,6-Dimethylpiperidine-1-carbonyl chloride
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2-Ethylpiperidine-1-carbonyl chloride
CID 79001866
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Dicyclohexylcarbamoyl chloride
CID 222909
N-Cyclohexyl-N-ethylacetamide
CID 558465
N-cyclohexyl-N-propan-2-ylacetamide
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Carbamothioic acid, cyclohexylethyl-
CID 134051

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethylcarbamoyl chloride?
The IUPAC name of N-cyclohexyl-N-ethylcarbamoyl chloride (CID 11332952) is N-cyclohexyl-N-ethylcarbamoyl chloride.
What is the SMILES notation for N-cyclohexyl-N-ethylcarbamoyl chloride?
The canonical SMILES for N-cyclohexyl-N-ethylcarbamoyl chloride is CCN(C(=O)Cl)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethylcarbamoyl chloride?
The InChIKey is ONKIPJDBUYZQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-2-11(9(10)12)8-6-4-3-5-7-8/h8H,2-7H2,1H3.
What are the key properties of N-cyclohexyl-N-ethylcarbamoyl chloride?
N-cyclohexyl-N-ethylcarbamoyl chloride has a molecular weight of 189.69 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethylcarbamoyl chloride is sourced from PubChem (CID 11332952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).