4-[2-[(4-acetamidobenzoyl)amino]phenoxy]phthalic acid

C23H18N2O7 — CID 18506130

IUPAC4-[2-[(4-acetamidobenzoyl)amino]phenoxy]phthalic acid
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccccc2Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1
InChIInChI=1S/C23H18N2O7/c1-13(26)24-15-8-6-14(7-9-15)21(27)25-19-4-2-3-5-20(19)32-16-10-11-17(22(28)29)18(12-16)23(30)31/h2-12H,1H3,(H,24,26)(H,25,27)(H,28,29)(H,30,31)
InChIKeyNGNQTBFNHQVRFG-UHFFFAOYSA-N
MW434.40 g/mol
LogP4.09
Rot. Bonds7

About 4-[2-[(4-acetamidobenzoyl)amino]phenoxy]phthalic acid

4-[2-[(4-acetamidobenzoyl)amino]phenoxy]phthalic acid (PubChem CID 18506130) has the molecular formula C23H18N2O7 and a molecular weight of 434.40 g/mol. Its IUPAC name is 4-[2-[(4-acetamidobenzoyl)amino]phenoxy]phthalic acid.

Molecular Properties

Compound Name4-[2-[(4-acetamidobenzoyl)amino]phenoxy]phthalic acid
PubChem CID18506130
Molecular FormulaC23H18N2O7
Molecular Weight434.40 g/mol
Exact Mass434.11
IUPAC Name4-[2-[(4-acetamidobenzoyl)amino]phenoxy]phthalic acid
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccccc2Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1
InChIInChI=1S/C23H18N2O7/c1-13(26)24-15-8-6-14(7-9-15)21(27)25-19-4-2-3-5-20(19)32-16-10-11-17(22(28)29)18(12-16)23(30)31/h2-12H,1H3,(H,24,26)(H,25,27)(H,28,29)(H,30,31)
InChIKeyNGNQTBFNHQVRFG-UHFFFAOYSA-N
XLogP4.09
TPSA142.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 54.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(4-bromobenzoyl)amino]phenoxy]phthalic acid
CID 18506122
4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid
CID 18506111
4-acetamido-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 26243690
4-[2-[(4-chloro-3-nitrobenzoyl)amino]phenoxy]phthalic acid
CID 18506214
4-[4-[(4-bromobenzoyl)amino]phenoxy]phthalic acid
CID 1249686
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
4-[3-[(4-phenylbenzoyl)amino]phenoxy]phthalic acid
CID 3107993
4-tert-butyl-N-(2-phenoxyphenyl)benzamide
CID 903986
4-(acetamidomethyl)-N-(2-phenoxyphenyl)benzamide
CID 17417945
2-[(4-acetyloxybenzoyl)amino]-4-phenoxybenzoic acid
CID 67342997
2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522460
N-(4-acetylphenyl)-N'-(2-phenoxyphenyl)oxamide
CID 108987473

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-acetamidobenzoyl)amino]phenoxy]phthalic acid?
The IUPAC name of 4-[2-[(4-acetamidobenzoyl)amino]phenoxy]phthalic acid (CID 18506130) is 4-[2-[(4-acetamidobenzoyl)amino]phenoxy]phthalic acid.
What is the SMILES notation for 4-[2-[(4-acetamidobenzoyl)amino]phenoxy]phthalic acid?
The canonical SMILES for 4-[2-[(4-acetamidobenzoyl)amino]phenoxy]phthalic acid is CC(=O)Nc1ccc(C(=O)Nc2ccccc2Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1.
What is the InChIKey of 4-[2-[(4-acetamidobenzoyl)amino]phenoxy]phthalic acid?
The InChIKey is NGNQTBFNHQVRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O7/c1-13(26)24-15-8-6-14(7-9-15)21(27)25-19-4-2-3-5-20(19)32-16-10-11-17(22(28)29)18(12-16)23(30)31/h2-12H,1H3,(H,24,26)(H,25,27)(H,28,29)(H,30,31).
What are the key properties of 4-[2-[(4-acetamidobenzoyl)amino]phenoxy]phthalic acid?
4-[2-[(4-acetamidobenzoyl)amino]phenoxy]phthalic acid has a molecular weight of 434.40 g/mol, XLogP of 4.09, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-acetamidobenzoyl)amino]phenoxy]phthalic acid is sourced from PubChem (CID 18506130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).