N-butyl-N-ethylcarbamoyl chloride

C7H14ClNO — CID 15338770

IUPACN-butyl-N-ethylcarbamoyl chloride
SMILESCCCCN(CC)C(=O)Cl
InChIInChI=1S/C7H14ClNO/c1-3-5-6-9(4-2)7(8)10/h3-6H2,1-2H3
InChIKeyGZNVFRIHZRYMFK-UHFFFAOYSA-N
MW163.65 g/mol
LogP2.47
Rot. Bonds4

About N-butyl-N-ethylcarbamoyl chloride

N-butyl-N-ethylcarbamoyl chloride (PubChem CID 15338770) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is N-butyl-N-ethylcarbamoyl chloride.

Molecular Properties

Compound NameN-butyl-N-ethylcarbamoyl chloride
PubChem CID15338770
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC NameN-butyl-N-ethylcarbamoyl chloride
SMILESCCCCN(CC)C(=O)Cl
InChIInChI=1S/C7H14ClNO/c1-3-5-6-9(4-2)7(8)10/h3-6H2,1-2H3
InChIKeyGZNVFRIHZRYMFK-UHFFFAOYSA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 52.47
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

Diethylcarbamoyl chloride
CID 6916
Dibutylcarbamoyl chloride
CID 83371
1-Pyrrolidinecarbonyl chloride
CID 70937
N-Ethyl-N-methylcarbamoyl chloride
CID 11240471
Diisopropylcarbamoyl chloride
CID 87890
Dipropylcarbamoyl chloride
CID 3015348
N-ethyl-N-(propan-2-yl)carbamoyl chloride
CID 21185221
N-butyl-N-methylcarbamoyl chloride
CID 14673135
N-methyl-N-propylcarbamoyl chloride
CID 15040338
Methyl(pentyl)carbamyl chloride
CID 15209943
N-ethyl-N-propylcarbamoyl chloride
CID 19707987
N-methyl-N-(2-methylpropyl)carbamoyl chloride
CID 79880813

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethylcarbamoyl chloride?
The IUPAC name of N-butyl-N-ethylcarbamoyl chloride (CID 15338770) is N-butyl-N-ethylcarbamoyl chloride.
What is the SMILES notation for N-butyl-N-ethylcarbamoyl chloride?
The canonical SMILES for N-butyl-N-ethylcarbamoyl chloride is CCCCN(CC)C(=O)Cl.
What is the InChIKey of N-butyl-N-ethylcarbamoyl chloride?
The InChIKey is GZNVFRIHZRYMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-3-5-6-9(4-2)7(8)10/h3-6H2,1-2H3.
What are the key properties of N-butyl-N-ethylcarbamoyl chloride?
N-butyl-N-ethylcarbamoyl chloride has a molecular weight of 163.65 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethylcarbamoyl chloride is sourced from PubChem (CID 15338770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).