N-(2-methylpropyl)-N-phenylcarbamoyl chloride

C11H14ClNO — CID 20551108

IUPACN-(2-methylpropyl)-N-phenylcarbamoyl chloride
SMILESCC(C)CN(C(=O)Cl)c1ccccc1
InChIInChI=1S/C11H14ClNO/c1-9(2)8-13(11(12)14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyCECORFNYNZTREG-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.51
Rot. Bonds3

About N-(2-methylpropyl)-N-phenylcarbamoyl chloride

N-(2-methylpropyl)-N-phenylcarbamoyl chloride (PubChem CID 20551108) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-phenylcarbamoyl chloride.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-phenylcarbamoyl chloride
PubChem CID20551108
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC NameN-(2-methylpropyl)-N-phenylcarbamoyl chloride
SMILESCC(C)CN(C(=O)Cl)c1ccccc1
InChIInChI=1S/C11H14ClNO/c1-9(2)8-13(11(12)14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyCECORFNYNZTREG-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.51
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

ethene;3,3,3-trifluoro-N-(2-methylpropyl)-N-phenyl-2-(trifluoromethyl)propanamide
CID 90927173
(4-methylphenyl)-(2-methylpropyl)carbamic acid;yttrium
CID 161236037
2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid
CID 61199656
[(2S)-3-hydroxy-2-methylpropyl]-phenylcarbamic acid
CID 54211065
N,N-bis(2-methylpropyl)aniline
CID 5169898
N-methyl-N',N'-bis(2-methylpropyl)-N-phenyloxamide
CID 108520978
N-(2-methylbutyl)-N-phenylcarbamate
CID 21460549
2-[N-(2-methylpropanoyl)anilino]acetic acid
CID 28764984
2-chloro-N-phenyl-N-prop-2-enylpropanamide
CID 14417035
hydroxymethyl(phenyl)carbamic acid
CID 69165687
2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid
CID 78973201
(2R)-2-methyl-3-(N-methylanilino)propanoic acid
CID 94253746

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-phenylcarbamoyl chloride?
The IUPAC name of N-(2-methylpropyl)-N-phenylcarbamoyl chloride (CID 20551108) is N-(2-methylpropyl)-N-phenylcarbamoyl chloride.
What is the SMILES notation for N-(2-methylpropyl)-N-phenylcarbamoyl chloride?
The canonical SMILES for N-(2-methylpropyl)-N-phenylcarbamoyl chloride is CC(C)CN(C(=O)Cl)c1ccccc1.
What is the InChIKey of N-(2-methylpropyl)-N-phenylcarbamoyl chloride?
The InChIKey is CECORFNYNZTREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-9(2)8-13(11(12)14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-phenylcarbamoyl chloride?
N-(2-methylpropyl)-N-phenylcarbamoyl chloride has a molecular weight of 211.69 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-phenylcarbamoyl chloride is sourced from PubChem (CID 20551108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).