N-(1-chloro-2-methyldecyl)carbamoyl chloride

C12H23Cl2NO — CID 54414951

IUPACN-(1-chloro-2-methyldecyl)carbamoyl chloride
SMILESCCCCCCCCC(C)C(Cl)NC(=O)Cl
InChIInChI=1S/C12H23Cl2NO/c1-3-4-5-6-7-8-9-10(2)11(13)15-12(14)16/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyVWTGNJCEEZEUFB-UHFFFAOYSA-N
MW268.23 g/mol
LogP4.89
Rot. Bonds9

About N-(1-chloro-2-methyldecyl)carbamoyl chloride

N-(1-chloro-2-methyldecyl)carbamoyl chloride (PubChem CID 54414951) has the molecular formula C12H23Cl2NO and a molecular weight of 268.23 g/mol. Its IUPAC name is N-(1-chloro-2-methyldecyl)carbamoyl chloride.

Molecular Properties

Compound NameN-(1-chloro-2-methyldecyl)carbamoyl chloride
PubChem CID54414951
Molecular FormulaC12H23Cl2NO
Molecular Weight268.23 g/mol
Exact Mass267.12
IUPAC NameN-(1-chloro-2-methyldecyl)carbamoyl chloride
SMILESCCCCCCCCC(C)C(Cl)NC(=O)Cl
InChIInChI=1S/C12H23Cl2NO/c1-3-4-5-6-7-8-9-10(2)11(13)15-12(14)16/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyVWTGNJCEEZEUFB-UHFFFAOYSA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 54.89
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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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2-methyldecanoyl chloride
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2-chlorooctadecanoyl chloride
CID 20512617
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
11,12-dimethyltricosane
CID 173430605
8,9-dimethylhexacosane
CID 160651612
3-hydroxy-4-methylnonanoic acid
CID 118395332
7-methylhexadecan-8-ol
CID 122652609
8-methyltetradecan-7-ol
CID 88908615

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methyldecyl)carbamoyl chloride?
The IUPAC name of N-(1-chloro-2-methyldecyl)carbamoyl chloride (CID 54414951) is N-(1-chloro-2-methyldecyl)carbamoyl chloride.
What is the SMILES notation for N-(1-chloro-2-methyldecyl)carbamoyl chloride?
The canonical SMILES for N-(1-chloro-2-methyldecyl)carbamoyl chloride is CCCCCCCCC(C)C(Cl)NC(=O)Cl.
What is the InChIKey of N-(1-chloro-2-methyldecyl)carbamoyl chloride?
The InChIKey is VWTGNJCEEZEUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23Cl2NO/c1-3-4-5-6-7-8-9-10(2)11(13)15-12(14)16/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N-(1-chloro-2-methyldecyl)carbamoyl chloride?
N-(1-chloro-2-methyldecyl)carbamoyl chloride has a molecular weight of 268.23 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methyldecyl)carbamoyl chloride is sourced from PubChem (CID 54414951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).