2-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzoic acid

C22H19NO4 — CID 1101206

IUPAC2-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzoic acid
SMILESCCOc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C22H19NO4/c1-2-27-16-13-11-15(12-14-16)23-21(24)19-9-5-3-7-17(19)18-8-4-6-10-20(18)22(25)26/h3-14H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyHAHPLKLXJZZOOZ-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.70
Rot. Bonds6

About 2-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzoic acid

2-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzoic acid (PubChem CID 1101206) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzoic acid
PubChem CID1101206
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name2-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzoic acid
SMILESCCOc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C22H19NO4/c1-2-27-16-13-11-15(12-14-16)23-21(24)19-9-5-3-7-17(19)18-8-4-6-10-20(18)22(25)26/h3-14H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyHAHPLKLXJZZOOZ-UHFFFAOYSA-N
XLogP4.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzoic acid?
The IUPAC name of 2-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzoic acid (CID 1101206) is 2-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzoic acid?
The canonical SMILES for 2-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzoic acid is CCOc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzoic acid?
The InChIKey is HAHPLKLXJZZOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-2-27-16-13-11-15(12-14-16)23-21(24)19-9-5-3-7-17(19)18-8-4-6-10-20(18)22(25)26/h3-14H,2H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzoic acid?
2-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzoic acid has a molecular weight of 361.40 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzoic acid is sourced from PubChem (CID 1101206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).