(3-methylphenyl) N-benzoylcarbamate

C15H13NO3 — CID 790837

IUPAC(3-methylphenyl) N-benzoylcarbamate
SMILESCc1cccc(OC(=O)NC(=O)c2ccccc2)c1
InChIInChI=1S/C15H13NO3/c1-11-6-5-9-13(10-11)19-15(18)16-14(17)12-7-3-2-4-8-12/h2-10H,1H3,(H,16,17,18)
InChIKeyQUIAJLSSFFXTSI-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.92
Rot. Bonds2

About (3-methylphenyl) N-benzoylcarbamate

(3-methylphenyl) N-benzoylcarbamate (PubChem CID 790837) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (3-methylphenyl) N-benzoylcarbamate.

Molecular Properties

Compound Name(3-methylphenyl) N-benzoylcarbamate
PubChem CID790837
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(3-methylphenyl) N-benzoylcarbamate
SMILESCc1cccc(OC(=O)NC(=O)c2ccccc2)c1
InChIInChI=1S/C15H13NO3/c1-11-6-5-9-13(10-11)19-15(18)16-14(17)12-7-3-2-4-8-12/h2-10H,1H3,(H,16,17,18)
InChIKeyQUIAJLSSFFXTSI-UHFFFAOYSA-N
XLogP2.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-benzoylcarbamate
CID 66560330
(3-methylphenyl) 2-benzoylbenzoate
CID 102060854
3-(benzamidocarbamoyloxy)benzoic acid
CID 10566112
(3-methylphenyl) N-[2-(methylamino)ethyl]carbamate
CID 83820443
phenyl N-phenoxycarbonylcarbamate
CID 11043392
4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 7601018
methyl 2-[(3-methylbenzoyl)amino]prop-2-enoate
CID 123522259
(3-methylphenyl) 2-[(4-fluorobenzoyl)amino]acetate
CID 110670410
phenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate
CID 81360922
(3-methylphenyl) N-(cyclopentylmethyl)carbamate
CID 141077229
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
(3-methylphenyl) 4-(2-phenoxyethoxy)benzoate
CID 23011970

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl) N-benzoylcarbamate?
The IUPAC name of (3-methylphenyl) N-benzoylcarbamate (CID 790837) is (3-methylphenyl) N-benzoylcarbamate.
What is the SMILES notation for (3-methylphenyl) N-benzoylcarbamate?
The canonical SMILES for (3-methylphenyl) N-benzoylcarbamate is Cc1cccc(OC(=O)NC(=O)c2ccccc2)c1.
What is the InChIKey of (3-methylphenyl) N-benzoylcarbamate?
The InChIKey is QUIAJLSSFFXTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-11-6-5-9-13(10-11)19-15(18)16-14(17)12-7-3-2-4-8-12/h2-10H,1H3,(H,16,17,18).
What are the key properties of (3-methylphenyl) N-benzoylcarbamate?
(3-methylphenyl) N-benzoylcarbamate has a molecular weight of 255.27 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl) N-benzoylcarbamate is sourced from PubChem (CID 790837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).