3-benzamido-4-[(4-chlorophenyl)methoxy]benzoic acid

C21H16ClNO4 — CID 134157450

IUPAC3-benzamido-4-[(4-chlorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2ccc(Cl)cc2)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C21H16ClNO4/c22-17-9-6-14(7-10-17)13-27-19-11-8-16(21(25)26)12-18(19)23-20(24)15-4-2-1-3-5-15/h1-12H,13H2,(H,23,24)(H,25,26)
InChIKeyMWTDILJXFCREEP-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.87
Rot. Bonds6

About 3-benzamido-4-[(4-chlorophenyl)methoxy]benzoic acid

3-benzamido-4-[(4-chlorophenyl)methoxy]benzoic acid (PubChem CID 134157450) has the molecular formula C21H16ClNO4 and a molecular weight of 381.82 g/mol. Its IUPAC name is 3-benzamido-4-[(4-chlorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-benzamido-4-[(4-chlorophenyl)methoxy]benzoic acid
PubChem CID134157450
Molecular FormulaC21H16ClNO4
Molecular Weight381.82 g/mol
Exact Mass381.08
IUPAC Name3-benzamido-4-[(4-chlorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2ccc(Cl)cc2)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C21H16ClNO4/c22-17-9-6-14(7-10-17)13-27-19-11-8-16(21(25)26)12-18(19)23-20(24)15-4-2-1-3-5-15/h1-12H,13H2,(H,23,24)(H,25,26)
InChIKeyMWTDILJXFCREEP-UHFFFAOYSA-N
XLogP4.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-[(4-chlorophenyl)methoxy]benzoic acid?
The IUPAC name of 3-benzamido-4-[(4-chlorophenyl)methoxy]benzoic acid (CID 134157450) is 3-benzamido-4-[(4-chlorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 3-benzamido-4-[(4-chlorophenyl)methoxy]benzoic acid?
The canonical SMILES for 3-benzamido-4-[(4-chlorophenyl)methoxy]benzoic acid is O=C(O)c1ccc(OCc2ccc(Cl)cc2)c(NC(=O)c2ccccc2)c1.
What is the InChIKey of 3-benzamido-4-[(4-chlorophenyl)methoxy]benzoic acid?
The InChIKey is MWTDILJXFCREEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO4/c22-17-9-6-14(7-10-17)13-27-19-11-8-16(21(25)26)12-18(19)23-20(24)15-4-2-1-3-5-15/h1-12H,13H2,(H,23,24)(H,25,26).
What are the key properties of 3-benzamido-4-[(4-chlorophenyl)methoxy]benzoic acid?
3-benzamido-4-[(4-chlorophenyl)methoxy]benzoic acid has a molecular weight of 381.82 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-[(4-chlorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 134157450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).