N-butylcarbamoyl chloride

C5H10ClNO — CID 14251115

IUPACN-butylcarbamoyl chloride
SMILESCCCCNC(=O)Cl
InChIInChI=1S/C5H10ClNO/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H,7,8)
InChIKeyHXMTZADTMCGSBJ-UHFFFAOYSA-N
MW135.59 g/mol
LogP1.73
Rot. Bonds3

About N-butylcarbamoyl chloride

N-butylcarbamoyl chloride (PubChem CID 14251115) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is N-butylcarbamoyl chloride.

Molecular Properties

Compound NameN-butylcarbamoyl chloride
PubChem CID14251115
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC NameN-butylcarbamoyl chloride
SMILESCCCCNC(=O)Cl
InChIInChI=1S/C5H10ClNO/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H,7,8)
InChIKeyHXMTZADTMCGSBJ-UHFFFAOYSA-N
XLogP1.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.59
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-nonylcarbamoyl chloride
CID 89287231
butylcarbamic acid
CID 3026651
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
butylcarbamic acid;zinc
CID 141049802
N-butyl-1-phosphanylformamide
CID 89204579
butylcarbamoylazanium
CID 143909883
N-butylcarbamothioyl chloride
CID 135275967
N-butyl-N'-pentylpropanediamide
CID 89202031
N-butylacetamide;molecular hydrogen
CID 142252069
1-butyl-3-octylurea
CID 17269600
N-butyl-4-chlorobutanamide
CID 4218503
N-butyl-3-oxobutanamide
CID 5161533

Frequently Asked Questions

What is the IUPAC name of N-butylcarbamoyl chloride?
The IUPAC name of N-butylcarbamoyl chloride (CID 14251115) is N-butylcarbamoyl chloride.
What is the SMILES notation for N-butylcarbamoyl chloride?
The canonical SMILES for N-butylcarbamoyl chloride is CCCCNC(=O)Cl.
What is the InChIKey of N-butylcarbamoyl chloride?
The InChIKey is HXMTZADTMCGSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H,7,8).
What are the key properties of N-butylcarbamoyl chloride?
N-butylcarbamoyl chloride has a molecular weight of 135.59 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylcarbamoyl chloride is sourced from PubChem (CID 14251115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).