(4-cyano-3-methylphenyl)-phenylcarbamic acid

C15H12N2O2 — CID 126683768

IUPAC(4-cyano-3-methylphenyl)-phenylcarbamic acid
SMILESCc1cc(N(C(=O)O)c2ccccc2)ccc1C#N
InChIInChI=1S/C15H12N2O2/c1-11-9-14(8-7-12(11)10-16)17(15(18)19)13-5-3-2-4-6-13/h2-9H,1H3,(H,18,19)
InChIKeyWOFGDZYOTFAIGW-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.68
Rot. Bonds2

About (4-cyano-3-methylphenyl)-phenylcarbamic acid

(4-cyano-3-methylphenyl)-phenylcarbamic acid (PubChem CID 126683768) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is (4-cyano-3-methylphenyl)-phenylcarbamic acid.

Molecular Properties

Compound Name(4-cyano-3-methylphenyl)-phenylcarbamic acid
PubChem CID126683768
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name(4-cyano-3-methylphenyl)-phenylcarbamic acid
SMILESCc1cc(N(C(=O)O)c2ccccc2)ccc1C#N
InChIInChI=1S/C15H12N2O2/c1-11-9-14(8-7-12(11)10-16)17(15(18)19)13-5-3-2-4-6-13/h2-9H,1H3,(H,18,19)
InChIKeyWOFGDZYOTFAIGW-UHFFFAOYSA-N
XLogP3.68
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-cyano-3-methylphenyl)-phenylcarbamic acid?
The IUPAC name of (4-cyano-3-methylphenyl)-phenylcarbamic acid (CID 126683768) is (4-cyano-3-methylphenyl)-phenylcarbamic acid.
What is the SMILES notation for (4-cyano-3-methylphenyl)-phenylcarbamic acid?
The canonical SMILES for (4-cyano-3-methylphenyl)-phenylcarbamic acid is Cc1cc(N(C(=O)O)c2ccccc2)ccc1C#N.
What is the InChIKey of (4-cyano-3-methylphenyl)-phenylcarbamic acid?
The InChIKey is WOFGDZYOTFAIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-11-9-14(8-7-12(11)10-16)17(15(18)19)13-5-3-2-4-6-13/h2-9H,1H3,(H,18,19).
What are the key properties of (4-cyano-3-methylphenyl)-phenylcarbamic acid?
(4-cyano-3-methylphenyl)-phenylcarbamic acid has a molecular weight of 252.27 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyano-3-methylphenyl)-phenylcarbamic acid is sourced from PubChem (CID 126683768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).