N-nonylcarbamoyl chloride

C10H20ClNO — CID 89287231

IUPACN-nonylcarbamoyl chloride
SMILESCCCCCCCCCNC(=O)Cl
InChIInChI=1S/C10H20ClNO/c1-2-3-4-5-6-7-8-9-12-10(11)13/h2-9H2,1H3,(H,12,13)
InChIKeyVUVUFAYVUBJFRR-UHFFFAOYSA-N
MW205.73 g/mol
LogP3.69
Rot. Bonds8

About N-nonylcarbamoyl chloride

N-nonylcarbamoyl chloride (PubChem CID 89287231) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is N-nonylcarbamoyl chloride.

Molecular Properties

Compound NameN-nonylcarbamoyl chloride
PubChem CID89287231
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC NameN-nonylcarbamoyl chloride
SMILESCCCCCCCCCNC(=O)Cl
InChIInChI=1S/C10H20ClNO/c1-2-3-4-5-6-7-8-9-12-10(11)13/h2-9H2,1H3,(H,12,13)
InChIKeyVUVUFAYVUBJFRR-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 53.69
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-butylcarbamoyl chloride
CID 14251115
N,N'-diheptyloxamide
CID 3417538
2-chloro-N-dotriacontylacetamide
CID 163206961
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806
N-nonadecylacetamide
CID 54574805
N-hexylacetamide
CID 24129
1-butyl-3-octylurea
CID 17269600
N-pentadecylacetamide
CID 12009452
octylcarbamothioic S-acid
CID 25085683
1-propyl-3-tridecylurea
CID 10934987
N-heptylcarbamoyl fluoride
CID 135303527
2,2,2-trichloro-N-dodecylacetamide
CID 4986291

Frequently Asked Questions

What is the IUPAC name of N-nonylcarbamoyl chloride?
The IUPAC name of N-nonylcarbamoyl chloride (CID 89287231) is N-nonylcarbamoyl chloride.
What is the SMILES notation for N-nonylcarbamoyl chloride?
The canonical SMILES for N-nonylcarbamoyl chloride is CCCCCCCCCNC(=O)Cl.
What is the InChIKey of N-nonylcarbamoyl chloride?
The InChIKey is VUVUFAYVUBJFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-2-3-4-5-6-7-8-9-12-10(11)13/h2-9H2,1H3,(H,12,13).
What are the key properties of N-nonylcarbamoyl chloride?
N-nonylcarbamoyl chloride has a molecular weight of 205.73 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonylcarbamoyl chloride is sourced from PubChem (CID 89287231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).