N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide

C29H24N2O5 — CID 139492461

IUPACN-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(C(=O)c3ccc(O)c(NC(=O)c4cccc(C)c4)c3)ccc2O)c1
InChIInChI=1S/C29H24N2O5/c1-17-5-3-7-21(13-17)28(35)30-23-15-19(9-11-25(23)32)27(34)20-10-12-26(33)24(16-20)31-29(36)22-8-4-6-18(2)14-22/h3-16,32-33H,1-2H3,(H,30,35)(H,31,36)
InChIKeyJQMFQSISBBKDMC-UHFFFAOYSA-N
MW480.52 g/mol
LogP5.45
Rot. Bonds6

About N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide

N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide (PubChem CID 139492461) has the molecular formula C29H24N2O5 and a molecular weight of 480.52 g/mol. Its IUPAC name is N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide
PubChem CID139492461
Molecular FormulaC29H24N2O5
Molecular Weight480.52 g/mol
Exact Mass480.17
IUPAC NameN-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(C(=O)c3ccc(O)c(NC(=O)c4cccc(C)c4)c3)ccc2O)c1
InChIInChI=1S/C29H24N2O5/c1-17-5-3-7-21(13-17)28(35)30-23-15-19(9-11-25(23)32)27(34)20-10-12-26(33)24(16-20)31-29(36)22-8-4-6-18(2)14-22/h3-16,32-33H,1-2H3,(H,30,35)(H,31,36)
InChIKeyJQMFQSISBBKDMC-UHFFFAOYSA-N
XLogP5.45
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 55.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide
CID 70334005
N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]anilino]phenyl]-3-methylbenzamide
CID 139492464
3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid
CID 75465271
N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 5120746
N-(3-hydroxy-4-pyridinyl)-3-methylbenzamide
CID 66624966
bis(3-methylphenyl)methanone
CID 17848
(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621
[4-hydroxy-3-(hydroxymethyl)phenyl]-(3-methylphenyl)methanone
CID 71390287
N-(3-iodo-2-methylphenyl)-3-methylbenzamide
CID 113368760
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
3-fluoro-N-(2-hydroxy-4-methylphenyl)benzamide
CID 2112106
3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide
CID 29262487

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide (CID 139492461) is N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(C(=O)c3ccc(O)c(NC(=O)c4cccc(C)c4)c3)ccc2O)c1.
What is the InChIKey of N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide?
The InChIKey is JQMFQSISBBKDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O5/c1-17-5-3-7-21(13-17)28(35)30-23-15-19(9-11-25(23)32)27(34)20-10-12-26(33)24(16-20)31-29(36)22-8-4-6-18(2)14-22/h3-16,32-33H,1-2H3,(H,30,35)(H,31,36).
What are the key properties of N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide?
N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide has a molecular weight of 480.52 g/mol, XLogP of 5.45, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 139492461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).