(3-methyl-5-phenylphenyl)-phenylcarbamic acid

C20H17NO2 — CID 59842791

IUPAC(3-methyl-5-phenylphenyl)-phenylcarbamic acid
SMILESCc1cc(-c2ccccc2)cc(N(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C20H17NO2/c1-15-12-17(16-8-4-2-5-9-16)14-19(13-15)21(20(22)23)18-10-6-3-7-11-18/h2-14H,1H3,(H,22,23)
InChIKeyGAQCJIIXPNOPOD-UHFFFAOYSA-N
MW303.36 g/mol
LogP5.48
Rot. Bonds3

About (3-methyl-5-phenylphenyl)-phenylcarbamic acid

(3-methyl-5-phenylphenyl)-phenylcarbamic acid (PubChem CID 59842791) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is (3-methyl-5-phenylphenyl)-phenylcarbamic acid.

Molecular Properties

Compound Name(3-methyl-5-phenylphenyl)-phenylcarbamic acid
PubChem CID59842791
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name(3-methyl-5-phenylphenyl)-phenylcarbamic acid
SMILESCc1cc(-c2ccccc2)cc(N(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C20H17NO2/c1-15-12-17(16-8-4-2-5-9-16)14-19(13-15)21(20(22)23)18-10-6-3-7-11-18/h2-14H,1H3,(H,22,23)
InChIKeyGAQCJIIXPNOPOD-UHFFFAOYSA-N
XLogP5.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.36
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-methyl-3-pyridinyl)-phenylcarbamic acid
CID 66885167
cobalt;bis(diphenylcarbamic acid)
CID 155679078
(4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid
CID 67427194
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
1,3-dimethyl-5-phenylbenzene;methane
CID 143325792
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417
[3,5-bis(1,3-oxazol-5-yl)phenyl]-phenylcarbamic acid
CID 118954163
[3-fluoro-5-(trifluoromethyl)phenyl]-phenylcarbamic acid
CID 71129201
1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane
CID 174481520
(4-cyano-3-methylphenyl)-phenylcarbamic acid
CID 126683768
1-phenyl-1-(4-phenylphenyl)urea
CID 90698606
4-N,4-N-bis(3,5-dimethylphenyl)-1-N-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)phenyl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 22964147

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-phenylphenyl)-phenylcarbamic acid?
The IUPAC name of (3-methyl-5-phenylphenyl)-phenylcarbamic acid (CID 59842791) is (3-methyl-5-phenylphenyl)-phenylcarbamic acid.
What is the SMILES notation for (3-methyl-5-phenylphenyl)-phenylcarbamic acid?
The canonical SMILES for (3-methyl-5-phenylphenyl)-phenylcarbamic acid is Cc1cc(-c2ccccc2)cc(N(C(=O)O)c2ccccc2)c1.
What is the InChIKey of (3-methyl-5-phenylphenyl)-phenylcarbamic acid?
The InChIKey is GAQCJIIXPNOPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-15-12-17(16-8-4-2-5-9-16)14-19(13-15)21(20(22)23)18-10-6-3-7-11-18/h2-14H,1H3,(H,22,23).
What are the key properties of (3-methyl-5-phenylphenyl)-phenylcarbamic acid?
(3-methyl-5-phenylphenyl)-phenylcarbamic acid has a molecular weight of 303.36 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-phenylphenyl)-phenylcarbamic acid is sourced from PubChem (CID 59842791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).