2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid

C22H19NO5 — CID 1348361

IUPAC2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid
SMILESCOc1ccc(OC)c(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c1
InChIInChI=1S/C22H19NO5/c1-27-14-11-12-20(28-2)19(13-14)23-21(24)17-9-5-3-7-15(17)16-8-4-6-10-18(16)22(25)26/h3-13H,1-2H3,(H,23,24)(H,25,26)
InChIKeyDHVUKQHVUOZGPM-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.32
Rot. Bonds6

About 2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid

2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid (PubChem CID 1348361) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid
PubChem CID1348361
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Name2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid
SMILESCOc1ccc(OC)c(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c1
InChIInChI=1S/C22H19NO5/c1-27-14-11-12-20(28-2)19(13-14)23-21(24)17-9-5-3-7-15(17)16-8-4-6-10-18(16)22(25)26/h3-13H,1-2H3,(H,23,24)(H,25,26)
InChIKeyDHVUKQHVUOZGPM-UHFFFAOYSA-N
XLogP4.32
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 17341130
N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide
CID 966884
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355355
2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide
CID 4233924
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide
CID 1369979
3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide
CID 91722818
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
2,4-dimethoxy-N-(2-phenylphenyl)benzamide
CID 26727528
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159
N-(2,5-dimethoxyphenyl)-1-methylindole-3-carboxamide
CID 25343212
3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866752

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid?
The IUPAC name of 2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid (CID 1348361) is 2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid?
The canonical SMILES for 2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid is COc1ccc(OC)c(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid?
The InChIKey is DHVUKQHVUOZGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c1-27-14-11-12-20(28-2)19(13-14)23-21(24)17-9-5-3-7-15(17)16-8-4-6-10-18(16)22(25)26/h3-13H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid?
2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid has a molecular weight of 377.40 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid is sourced from PubChem (CID 1348361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).