N-cyclopentyl-N-ethylcarbamoyl chloride

C8H14ClNO — CID 15335411

IUPACN-cyclopentyl-N-ethylcarbamoyl chloride
SMILESCCN(C(=O)Cl)C1CCCC1
InChIInChI=1S/C8H14ClNO/c1-2-10(8(9)11)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyYDQLTMBHLYQVNT-UHFFFAOYSA-N
MW175.66 g/mol
LogP2.61
Rot. Bonds2

About N-cyclopentyl-N-ethylcarbamoyl chloride

N-cyclopentyl-N-ethylcarbamoyl chloride (PubChem CID 15335411) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is N-cyclopentyl-N-ethylcarbamoyl chloride.

Molecular Properties

Compound NameN-cyclopentyl-N-ethylcarbamoyl chloride
PubChem CID15335411
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC NameN-cyclopentyl-N-ethylcarbamoyl chloride
SMILESCCN(C(=O)Cl)C1CCCC1
InChIInChI=1S/C8H14ClNO/c1-2-10(8(9)11)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyYDQLTMBHLYQVNT-UHFFFAOYSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 52.61
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

1-N,4-N-dicyclopentyl-1-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 55587581
3-chloro-N-cyclopentyl-N-ethylpropanamide
CID 43541097
N-cyclohexyl-N-ethylcyclobutanecarboxamide
CID 78833458
N-cyclopentyl-N-ethyl-2-methylpropanamide
CID 60738891
N-cyclohexyl-N-ethyl-2-methylcyclopropane-1-carboxamide
CID 78833407
chloromethyl N-cyclohexyl-N-ethylcarbamate
CID 66648792
2,2-dichloro-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide
CID 78838416
4-chloro-N-cyclohexyl-N-ethylbutanamide
CID 13048749
N-cyclohexyl-N-ethyl-2,2-difluoroacetamide
CID 103515263
N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide
CID 20752264
1-cyclopentyl-1-ethylthiourea
CID 43541105
2-amino-N-cyclohexyl-N-ethyl-2-methylpropanamide
CID 56831871

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethylcarbamoyl chloride?
The IUPAC name of N-cyclopentyl-N-ethylcarbamoyl chloride (CID 15335411) is N-cyclopentyl-N-ethylcarbamoyl chloride.
What is the SMILES notation for N-cyclopentyl-N-ethylcarbamoyl chloride?
The canonical SMILES for N-cyclopentyl-N-ethylcarbamoyl chloride is CCN(C(=O)Cl)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethylcarbamoyl chloride?
The InChIKey is YDQLTMBHLYQVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-2-10(8(9)11)7-5-3-4-6-7/h7H,2-6H2,1H3.
What are the key properties of N-cyclopentyl-N-ethylcarbamoyl chloride?
N-cyclopentyl-N-ethylcarbamoyl chloride has a molecular weight of 175.66 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethylcarbamoyl chloride is sourced from PubChem (CID 15335411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).