4-amino-2-[4-[4-(5-amino-2-carbamoylphenyl)-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide

C26H22N4O4 — CID 175851652

IUPAC4-amino-2-[4-[4-(5-amino-2-carbamoylphenyl)-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide
SMILESNC(=O)c1ccc(N)cc1-c1ccc(-c2ccc(-c3cc(N)ccc3C(N)=O)c(O)c2)cc1O
InChIInChI=1S/C26H22N4O4/c27-15-3-7-19(25(29)33)21(11-15)17-5-1-13(9-23(17)31)14-2-6-18(24(32)10-14)22-12-16(28)4-8-20(22)26(30)34/h1-12,31-32H,27-28H2,(H2,29,33)(H2,30,34)
InChIKeyDKQZJWYWBVOJFL-UHFFFAOYSA-N
MW454.49 g/mol
LogP3.46
Rot. Bonds5

About 4-amino-2-[4-[4-(5-amino-2-carbamoylphenyl)-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide

4-amino-2-[4-[4-(5-amino-2-carbamoylphenyl)-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide (PubChem CID 175851652) has the molecular formula C26H22N4O4 and a molecular weight of 454.49 g/mol. Its IUPAC name is 4-amino-2-[4-[4-(5-amino-2-carbamoylphenyl)-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide.

Molecular Properties

Compound Name4-amino-2-[4-[4-(5-amino-2-carbamoylphenyl)-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide
PubChem CID175851652
Molecular FormulaC26H22N4O4
Molecular Weight454.49 g/mol
Exact Mass454.16
IUPAC Name4-amino-2-[4-[4-(5-amino-2-carbamoylphenyl)-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide
SMILESNC(=O)c1ccc(N)cc1-c1ccc(-c2ccc(-c3cc(N)ccc3C(N)=O)c(O)c2)cc1O
InChIInChI=1S/C26H22N4O4/c27-15-3-7-19(25(29)33)21(11-15)17-5-1-13(9-23(17)31)14-2-6-18(24(32)10-14)22-12-16(28)4-8-20(22)26(30)34/h1-12,31-32H,27-28H2,(H2,29,33)(H2,30,34)
InChIKeyDKQZJWYWBVOJFL-UHFFFAOYSA-N
XLogP3.46
TPSA178.68 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.49
LogP ≤ 53.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(4-aminophenyl)benzamide
CID 68787804
2-hydroxy-4-phenylbenzamide
CID 19349044
2-(4-amino-2-methylphenyl)benzene-1,4-dicarboxamide
CID 174919262
4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid
CID 22096985
5-amino-2-[4-(trifluoromethyl)phenyl]benzamide
CID 68829793
4-(3-aminophenyl)-2-hydroxybenzoic acid
CID 53224908
5-amino-2-(2,5-diaminophenyl)phenol
CID 22023387
4-amino-2-hydroxybenzoic acid;carbamic acid
CID 67980024
5-amino-2-(2-aminophenyl)benzamide
CID 68784077
5-amino-2-(2-hydroxyphenyl)phenol
CID 22023425
4-amino-2-hydroxybenzoic acid;dihydrochloride
CID 140557780
bis(4-amino-2-phenylphenyl)methanone
CID 70118096

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[4-[4-(5-amino-2-carbamoylphenyl)-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide?
The IUPAC name of 4-amino-2-[4-[4-(5-amino-2-carbamoylphenyl)-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide (CID 175851652) is 4-amino-2-[4-[4-(5-amino-2-carbamoylphenyl)-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide.
What is the SMILES notation for 4-amino-2-[4-[4-(5-amino-2-carbamoylphenyl)-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide?
The canonical SMILES for 4-amino-2-[4-[4-(5-amino-2-carbamoylphenyl)-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide is NC(=O)c1ccc(N)cc1-c1ccc(-c2ccc(-c3cc(N)ccc3C(N)=O)c(O)c2)cc1O.
What is the InChIKey of 4-amino-2-[4-[4-(5-amino-2-carbamoylphenyl)-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide?
The InChIKey is DKQZJWYWBVOJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O4/c27-15-3-7-19(25(29)33)21(11-15)17-5-1-13(9-23(17)31)14-2-6-18(24(32)10-14)22-12-16(28)4-8-20(22)26(30)34/h1-12,31-32H,27-28H2,(H2,29,33)(H2,30,34).
What are the key properties of 4-amino-2-[4-[4-(5-amino-2-carbamoylphenyl)-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide?
4-amino-2-[4-[4-(5-amino-2-carbamoylphenyl)-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide has a molecular weight of 454.49 g/mol, XLogP of 3.46, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[4-[4-(5-amino-2-carbamoylphenyl)-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide is sourced from PubChem (CID 175851652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).