2-[[3-[(2-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid

C22H18N2O4 — CID 1070509

IUPAC2-[[3-[(2-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
SMILESCc1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C22H18N2O4/c1-14-7-2-5-12-19(14)24-20(25)15-8-6-9-16(13-15)23-21(26)17-10-3-4-11-18(17)22(27)28/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28)
InChIKeyVHTZGWBBMCCSFD-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.20
Rot. Bonds5

About 2-[[3-[(2-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid

2-[[3-[(2-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid (PubChem CID 1070509) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[[3-[(2-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[3-[(2-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
PubChem CID1070509
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name2-[[3-[(2-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
SMILESCc1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C22H18N2O4/c1-14-7-2-5-12-19(14)24-20(25)15-8-6-9-16(13-15)23-21(26)17-10-3-4-11-18(17)22(27)28/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28)
InChIKeyVHTZGWBBMCCSFD-UHFFFAOYSA-N
XLogP4.20
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[3-[(2-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid (CID 1070509) is 2-[[3-[(2-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[3-[(2-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[3-[(2-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid is Cc1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[[3-[(2-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid?
The InChIKey is VHTZGWBBMCCSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-14-7-2-5-12-19(14)24-20(25)15-8-6-9-16(13-15)23-21(26)17-10-3-4-11-18(17)22(27)28/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28).
What are the key properties of 2-[[3-[(2-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid?
2-[[3-[(2-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid has a molecular weight of 374.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 1070509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).