3-(4-carbamoylphenyl)-2-methylbenzamide

C15H14N2O2 — CID 142234792

IUPAC3-(4-carbamoylphenyl)-2-methylbenzamide
SMILESCc1c(C(N)=O)cccc1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C15H14N2O2/c1-9-12(3-2-4-13(9)15(17)19)10-5-7-11(8-6-10)14(16)18/h2-8H,1H3,(H2,16,18)(H2,17,19)
InChIKeyQCDLTJAMVAKDAW-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.86
Rot. Bonds3

About 3-(4-carbamoylphenyl)-2-methylbenzamide

3-(4-carbamoylphenyl)-2-methylbenzamide (PubChem CID 142234792) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(4-carbamoylphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-(4-carbamoylphenyl)-2-methylbenzamide
PubChem CID142234792
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-(4-carbamoylphenyl)-2-methylbenzamide
SMILESCc1c(C(N)=O)cccc1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C15H14N2O2/c1-9-12(3-2-4-13(9)15(17)19)10-5-7-11(8-6-10)14(16)18/h2-8H,1H3,(H2,16,18)(H2,17,19)
InChIKeyQCDLTJAMVAKDAW-UHFFFAOYSA-N
XLogP1.86
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoylphenyl)-2-methylbenzamide?
The IUPAC name of 3-(4-carbamoylphenyl)-2-methylbenzamide (CID 142234792) is 3-(4-carbamoylphenyl)-2-methylbenzamide.
What is the SMILES notation for 3-(4-carbamoylphenyl)-2-methylbenzamide?
The canonical SMILES for 3-(4-carbamoylphenyl)-2-methylbenzamide is Cc1c(C(N)=O)cccc1-c1ccc(C(N)=O)cc1.
What is the InChIKey of 3-(4-carbamoylphenyl)-2-methylbenzamide?
The InChIKey is QCDLTJAMVAKDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-9-12(3-2-4-13(9)15(17)19)10-5-7-11(8-6-10)14(16)18/h2-8H,1H3,(H2,16,18)(H2,17,19).
What are the key properties of 3-(4-carbamoylphenyl)-2-methylbenzamide?
3-(4-carbamoylphenyl)-2-methylbenzamide has a molecular weight of 254.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoylphenyl)-2-methylbenzamide is sourced from PubChem (CID 142234792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).