N-(2-methylphenyl)-N-phenylcarbamoyl chloride

C14H12ClNO — CID 54268950

IUPACN-(2-methylphenyl)-N-phenylcarbamoyl chloride
SMILESCc1ccccc1N(C(=O)Cl)c1ccccc1
InChIInChI=1S/C14H12ClNO/c1-11-7-5-6-10-13(11)16(14(15)17)12-8-3-2-4-9-12/h2-10H,1H3
InChIKeyRIUGNKVMYGIXQR-UHFFFAOYSA-N
MW245.71 g/mol
LogP4.49
Rot. Bonds2

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

N-(2-methylphenyl)-N-phenylcarbamoyl chloride (PubChem CID 54268950) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is N-(2-methylphenyl)-N-phenylcarbamoyl chloride.

Molecular Properties

Compound NameN-(2-methylphenyl)-N-phenylcarbamoyl chloride
PubChem CID54268950
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC NameN-(2-methylphenyl)-N-phenylcarbamoyl chloride
SMILESCc1ccccc1N(C(=O)Cl)c1ccccc1
InChIInChI=1S/C14H12ClNO/c1-11-7-5-6-10-13(11)16(14(15)17)12-8-3-2-4-9-12/h2-10H,1H3
InChIKeyRIUGNKVMYGIXQR-UHFFFAOYSA-N
XLogP4.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 54.49
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-(2-fluorophenyl)-N-phenylcarbamoyl chloride
CID 54022555
(4-chlorophenyl)-(2-methylphenyl)carbamic acid
CID 57361807
1,1-bis(2-methylphenyl)urea
CID 3049256
N-(2,4-dimethylphenyl)-N-phenylacetamide
CID 10537956
N,10-dimethyl-N-phenylcyclodeca-1,3,5,7,9-pentaen-1-amine
CID 135227535
(2-methylphenyl)-oxidocarbamic acid
CID 131721115
3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-1-(2-methylphenyl)-1-phenylurea
CID 19874853
2-methyl-N-(2-methylphenyl)-N-(3-methylphenyl)propanamide
CID 138358513
2-(N-carboxy-2-methylanilino)-3-methylbenzoic acid
CID 173215689
N-(2-hydroxyphenyl)-N-phenylacetamide
CID 72942625
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
2-N,3-N,4-N-tris(2-methylphenyl)-1-N,1-N,2-N,3-N,4-N-pentakis-phenylbenzene-1,2,3,4-tetramine
CID 69050247

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N-phenylcarbamoyl chloride?
The IUPAC name of N-(2-methylphenyl)-N-phenylcarbamoyl chloride (CID 54268950) is N-(2-methylphenyl)-N-phenylcarbamoyl chloride.
What is the SMILES notation for N-(2-methylphenyl)-N-phenylcarbamoyl chloride?
The canonical SMILES for N-(2-methylphenyl)-N-phenylcarbamoyl chloride is Cc1ccccc1N(C(=O)Cl)c1ccccc1.
What is the InChIKey of N-(2-methylphenyl)-N-phenylcarbamoyl chloride?
The InChIKey is RIUGNKVMYGIXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-11-7-5-6-10-13(11)16(14(15)17)12-8-3-2-4-9-12/h2-10H,1H3.
What are the key properties of N-(2-methylphenyl)-N-phenylcarbamoyl chloride?
N-(2-methylphenyl)-N-phenylcarbamoyl chloride has a molecular weight of 245.71 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N-phenylcarbamoyl chloride is sourced from PubChem (CID 54268950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).