methyl-[3-(3-methylbenzoyl)phenyl]carbamic acid

C16H15NO3 — CID 67683121

IUPACmethyl-[3-(3-methylbenzoyl)phenyl]carbamic acid
SMILESCc1cccc(C(=O)c2cccc(N(C)C(=O)O)c2)c1
InChIInChI=1S/C16H15NO3/c1-11-5-3-6-12(9-11)15(18)13-7-4-8-14(10-13)17(2)16(19)20/h3-10H,1-2H3,(H,19,20)
InChIKeyPHYULRFARRXJSK-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.34
Rot. Bonds3

About methyl-[3-(3-methylbenzoyl)phenyl]carbamic acid

methyl-[3-(3-methylbenzoyl)phenyl]carbamic acid (PubChem CID 67683121) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl-[3-(3-methylbenzoyl)phenyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[3-(3-methylbenzoyl)phenyl]carbamic acid
PubChem CID67683121
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namemethyl-[3-(3-methylbenzoyl)phenyl]carbamic acid
SMILESCc1cccc(C(=O)c2cccc(N(C)C(=O)O)c2)c1
InChIInChI=1S/C16H15NO3/c1-11-5-3-6-12(9-11)15(18)13-7-4-8-14(10-13)17(2)16(19)20/h3-10H,1-2H3,(H,19,20)
InChIKeyPHYULRFARRXJSK-UHFFFAOYSA-N
XLogP3.34
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(3-methylphenyl)methanone
CID 17848
[3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone
CID 105080904
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
3-methylbenzoic acid
CID 7418
(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621
[3-[3-(4-methyl-N-(4-methylphenyl)anilino)benzoyl]phenyl]-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methanone
CID 58084709
tert-butyl N-methyl-N-[3-(4-methylbenzoyl)phenyl]carbamate
CID 155465071
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
[2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate
CID 46860545
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
2-(3-methylbenzoyl)benzoic acid
CID 2801746

Frequently Asked Questions

What is the IUPAC name of methyl-[3-(3-methylbenzoyl)phenyl]carbamic acid?
The IUPAC name of methyl-[3-(3-methylbenzoyl)phenyl]carbamic acid (CID 67683121) is methyl-[3-(3-methylbenzoyl)phenyl]carbamic acid.
What is the SMILES notation for methyl-[3-(3-methylbenzoyl)phenyl]carbamic acid?
The canonical SMILES for methyl-[3-(3-methylbenzoyl)phenyl]carbamic acid is Cc1cccc(C(=O)c2cccc(N(C)C(=O)O)c2)c1.
What is the InChIKey of methyl-[3-(3-methylbenzoyl)phenyl]carbamic acid?
The InChIKey is PHYULRFARRXJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-5-3-6-12(9-11)15(18)13-7-4-8-14(10-13)17(2)16(19)20/h3-10H,1-2H3,(H,19,20).
What are the key properties of methyl-[3-(3-methylbenzoyl)phenyl]carbamic acid?
methyl-[3-(3-methylbenzoyl)phenyl]carbamic acid has a molecular weight of 269.30 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-(3-methylbenzoyl)phenyl]carbamic acid is sourced from PubChem (CID 67683121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).