N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride

C11H14ClNO — CID 115194451

IUPACN-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride
SMILESCC(C)c1ccc(N(C)C(=O)Cl)cc1
InChIInChI=1S/C11H14ClNO/c1-8(2)9-4-6-10(7-5-9)13(3)11(12)14/h4-8H,1-3H3
InChIKeyQPRBNRGNWZZQJI-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.61
Rot. Bonds2

About N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride

N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride (PubChem CID 115194451) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride.

Molecular Properties

Compound NameN-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride
PubChem CID115194451
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC NameN-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride
SMILESCC(C)c1ccc(N(C)C(=O)Cl)cc1
InChIInChI=1S/C11H14ClNO/c1-8(2)9-4-6-10(7-5-9)13(3)11(12)14/h4-8H,1-3H3
InChIKeyQPRBNRGNWZZQJI-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.61
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

N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide
CID 115175423
N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide
CID 115166992
N-methyl-N-[4-(2-methylpropyl)phenyl]carbamoyl chloride
CID 115194464
methyl 2-(N-methyl-4-propan-2-ylanilino)-2-oxoacetate
CID 115142231
2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977341
4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092609
2-[methyl-(4-propan-2-ylphenyl)carbamoyl]butanoic acid
CID 115185890
N-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 176647563
2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092607
2-(ethylamino)-N-methyl-N-(4-propan-2-ylphenyl)acetamide
CID 115157740
3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120550889
2-(4-propan-2-ylphenyl)propanoyl chloride
CID 14553074

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride?
The IUPAC name of N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride (CID 115194451) is N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride.
What is the SMILES notation for N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride?
The canonical SMILES for N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride is CC(C)c1ccc(N(C)C(=O)Cl)cc1.
What is the InChIKey of N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride?
The InChIKey is QPRBNRGNWZZQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8(2)9-4-6-10(7-5-9)13(3)11(12)14/h4-8H,1-3H3.
What are the key properties of N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride?
N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride has a molecular weight of 211.69 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride is sourced from PubChem (CID 115194451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).