4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide

C26H21ClN4O4 — CID 3022731

IUPAC4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide
SMILESCOc1ccc(C(N)=O)cc1/N=N/c1c(O)c(C(=O)Nc2cc(Cl)ccc2C)cc2ccccc12
InChIInChI=1S/C26H21ClN4O4/c1-14-7-9-17(27)13-20(14)29-26(34)19-11-15-5-3-4-6-18(15)23(24(19)32)31-30-21-12-16(25(28)33)8-10-22(21)35-2/h3-13,32H,1-2H3,(H2,28,33)(H,29,34)/b31-30+
InChIKeyWIJSSSVUDKBGNP-NVQSTNCTSA-N
MW488.93 g/mol
LogP6.28
Rot. Bonds6

About 4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide

4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide (PubChem CID 3022731) has the molecular formula C26H21ClN4O4 and a molecular weight of 488.93 g/mol. Its IUPAC name is 4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide
PubChem CID3022731
Molecular FormulaC26H21ClN4O4
Molecular Weight488.93 g/mol
Exact Mass488.13
IUPAC Name4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide
SMILESCOc1ccc(C(N)=O)cc1/N=N/c1c(O)c(C(=O)Nc2cc(Cl)ccc2C)cc2ccccc12
InChIInChI=1S/C26H21ClN4O4/c1-14-7-9-17(27)13-20(14)29-26(34)19-11-15-5-3-4-6-18(15)23(24(19)32)31-30-21-12-16(25(28)33)8-10-22(21)35-2/h3-13,32H,1-2H3,(H2,28,33)(H,29,34)/b31-30+
InChIKeyWIJSSSVUDKBGNP-NVQSTNCTSA-N
XLogP6.28
TPSA126.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.93
LogP ≤ 56.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 136706044
4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
CID 136830288
N-(4-acetamido-2-methylphenyl)-3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 137119809
4-[(4-benzamido-2-methoxy-5-methylphenyl)diazenyl]-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide
CID 3019188
4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 136620067
3-hydroxy-N-[3-[3-[[3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenoxy]phenyl]-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 163998747
4-amino-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide;3-amino-4-methoxybenzamide
CID 145216667
2-chloro-4-[[3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-6-methylbenzenesulfonic acid
CID 136855128
N-(5-chloro-2-methylphenyl)-3-hydroxy-4-[[5-(C-hydroxy-N-phenylcarbonimidoyl)-2-methoxyphenyl]diazenyl]naphthalene-2-carboximidic acid
CID 136918743
2-chloro-3-[[3-[(2-chloro-3-methoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-6-methylbenzenesulfonic acid
CID 136854917
5-chloro-3-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-2-methylbenzenesulfonic acid
CID 136707852
3-chloro-5-[[3-[(4-chloro-2-methoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-4-methylbenzenesulfonic acid
CID 136855163

Frequently Asked Questions

What is the IUPAC name of 4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of 4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide (CID 3022731) is 4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for 4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for 4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide is COc1ccc(C(N)=O)cc1/N=N/c1c(O)c(C(=O)Nc2cc(Cl)ccc2C)cc2ccccc12.
What is the InChIKey of 4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is WIJSSSVUDKBGNP-NVQSTNCTSA-N. The full InChI is InChI=1S/C26H21ClN4O4/c1-14-7-9-17(27)13-20(14)29-26(34)19-11-15-5-3-4-6-18(15)23(24(19)32)31-30-21-12-16(25(28)33)8-10-22(21)35-2/h3-13,32H,1-2H3,(H2,28,33)(H,29,34)/b31-30+.
What are the key properties of 4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide?
4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 488.93 g/mol, XLogP of 6.28, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 3022731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).