N-(2-chloro-3-methylbutan-2-yl)carbamoyl chloride

C6H11Cl2NO — CID 54240831

IUPACN-(2-chloro-3-methylbutan-2-yl)carbamoyl chloride
SMILESCC(C)C(C)(Cl)NC(=O)Cl
InChIInChI=1S/C6H11Cl2NO/c1-4(2)6(3,8)9-5(7)10/h4H,1-3H3,(H,9,10)
InChIKeyQPWMQZCJNADQTL-UHFFFAOYSA-N
MW184.07 g/mol
LogP2.55
Rot. Bonds2

About N-(2-chloro-3-methylbutan-2-yl)carbamoyl chloride

N-(2-chloro-3-methylbutan-2-yl)carbamoyl chloride (PubChem CID 54240831) has the molecular formula C6H11Cl2NO and a molecular weight of 184.07 g/mol. Its IUPAC name is N-(2-chloro-3-methylbutan-2-yl)carbamoyl chloride.

Molecular Properties

Compound NameN-(2-chloro-3-methylbutan-2-yl)carbamoyl chloride
PubChem CID54240831
Molecular FormulaC6H11Cl2NO
Molecular Weight184.07 g/mol
Exact Mass183.02
IUPAC NameN-(2-chloro-3-methylbutan-2-yl)carbamoyl chloride
SMILESCC(C)C(C)(Cl)NC(=O)Cl
InChIInChI=1S/C6H11Cl2NO/c1-4(2)6(3,8)9-5(7)10/h4H,1-3H3,(H,9,10)
InChIKeyQPWMQZCJNADQTL-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.07
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-(2-methylpropanoyl)propanamide
CID 130010818
2-chloropropan-2-yl carbonochloridate
CID 54538343
N-(1-chloroethyl)carbamoyl chloride
CID 12573467
N-(1,1-dichloroethyl)-2,2-difluoroacetamide
CID 151425647
propan-2-yl 2,2-dichloro-3-methylbutanoate
CID 57232967
2,2-dimethyl-N-(2,3,3,4-tetramethylpentan-2-yl)propanamide
CID 166894562
N-tert-butyl-2-chloro-3-methylbutanamide
CID 60693170
N-(1-amino-2,3-dimethylbutan-2-yl)octanamide
CID 81486540
tert-butyl N-(6-hydroxy-5-methylhexyl)carbamate
CID 10868138
N-(1-amino-2,3-dimethylbutan-2-yl)decanamide
CID 115310393
N-tert-butyl-2-methylpropanamide;ethane
CID 143588307
methanesulfonic acid;2,3,4-trimethylpentan-3-amine
CID 173156179

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methylbutan-2-yl)carbamoyl chloride?
The IUPAC name of N-(2-chloro-3-methylbutan-2-yl)carbamoyl chloride (CID 54240831) is N-(2-chloro-3-methylbutan-2-yl)carbamoyl chloride.
What is the SMILES notation for N-(2-chloro-3-methylbutan-2-yl)carbamoyl chloride?
The canonical SMILES for N-(2-chloro-3-methylbutan-2-yl)carbamoyl chloride is CC(C)C(C)(Cl)NC(=O)Cl.
What is the InChIKey of N-(2-chloro-3-methylbutan-2-yl)carbamoyl chloride?
The InChIKey is QPWMQZCJNADQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2NO/c1-4(2)6(3,8)9-5(7)10/h4H,1-3H3,(H,9,10).
What are the key properties of N-(2-chloro-3-methylbutan-2-yl)carbamoyl chloride?
N-(2-chloro-3-methylbutan-2-yl)carbamoyl chloride has a molecular weight of 184.07 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methylbutan-2-yl)carbamoyl chloride is sourced from PubChem (CID 54240831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).