3-benzamido-5-(3-methoxyphenyl)benzoic acid

C21H17NO4 — CID 171782860

IUPAC3-benzamido-5-(3-methoxyphenyl)benzoic acid
SMILESCOc1cccc(-c2cc(NC(=O)c3ccccc3)cc(C(=O)O)c2)c1
InChIInChI=1S/C21H17NO4/c1-26-19-9-5-8-15(13-19)16-10-17(21(24)25)12-18(11-16)22-20(23)14-6-3-2-4-7-14/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKeyKYZDZGXFGRLQST-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.31
Rot. Bonds5

About 3-benzamido-5-(3-methoxyphenyl)benzoic acid

3-benzamido-5-(3-methoxyphenyl)benzoic acid (PubChem CID 171782860) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-benzamido-5-(3-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name3-benzamido-5-(3-methoxyphenyl)benzoic acid
PubChem CID171782860
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name3-benzamido-5-(3-methoxyphenyl)benzoic acid
SMILESCOc1cccc(-c2cc(NC(=O)c3ccccc3)cc(C(=O)O)c2)c1
InChIInChI=1S/C21H17NO4/c1-26-19-9-5-8-15(13-19)16-10-17(21(24)25)12-18(11-16)22-20(23)14-6-3-2-4-7-14/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKeyKYZDZGXFGRLQST-UHFFFAOYSA-N
XLogP4.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
3-(3-ethoxyphenyl)-5-[(3-phenoxybenzoyl)amino]benzoic acid
CID 171782857
3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid
CID 164625810
3-chloro-5-(3-methoxyphenyl)benzoic acid
CID 53225426
3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid
CID 53227846
3-[3-(3-methoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887222
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307
N-[3,5-bis(3-methoxyphenyl)phenyl]-2,2-dichloroacetamide
CID 71459611
N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 52904761
N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
3,5-diacetamido-N-(3-methoxyphenyl)benzamide
CID 18104274
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-5-(3-methoxyphenyl)benzoic acid?
The IUPAC name of 3-benzamido-5-(3-methoxyphenyl)benzoic acid (CID 171782860) is 3-benzamido-5-(3-methoxyphenyl)benzoic acid.
What is the SMILES notation for 3-benzamido-5-(3-methoxyphenyl)benzoic acid?
The canonical SMILES for 3-benzamido-5-(3-methoxyphenyl)benzoic acid is COc1cccc(-c2cc(NC(=O)c3ccccc3)cc(C(=O)O)c2)c1.
What is the InChIKey of 3-benzamido-5-(3-methoxyphenyl)benzoic acid?
The InChIKey is KYZDZGXFGRLQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c1-26-19-9-5-8-15(13-19)16-10-17(21(24)25)12-18(11-16)22-20(23)14-6-3-2-4-7-14/h2-13H,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-benzamido-5-(3-methoxyphenyl)benzoic acid?
3-benzamido-5-(3-methoxyphenyl)benzoic acid has a molecular weight of 347.37 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-5-(3-methoxyphenyl)benzoic acid is sourced from PubChem (CID 171782860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).