N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide

C23H19ClN4O5 — CID 5049729

IUPACN-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C23H19ClN4O5/c1-33-20-12-14(6-11-19(20)29)13-25-28-23(32)22(31)27-18-5-3-2-4-17(18)21(30)26-16-9-7-15(24)8-10-16/h2-13,29H,1H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyBBLYTCVBHKEWAQ-UHFFFAOYSA-N
MW466.88 g/mol
LogP3.40
Rot. Bonds6

About N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide

N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide (PubChem CID 5049729) has the molecular formula C23H19ClN4O5 and a molecular weight of 466.88 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
PubChem CID5049729
Molecular FormulaC23H19ClN4O5
Molecular Weight466.88 g/mol
Exact Mass466.10
IUPAC NameN-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C23H19ClN4O5/c1-33-20-12-14(6-11-19(20)29)13-25-28-23(32)22(31)27-18-5-3-2-4-17(18)21(30)26-16-9-7-15(24)8-10-16/h2-13,29H,1H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyBBLYTCVBHKEWAQ-UHFFFAOYSA-N
XLogP3.40
TPSA129.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.88
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 92844365
1-(4-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 682276
N-(2-ethylphenyl)-N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136864574
N-(3-chlorophenyl)-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 3102361
N'-[(4-chlorophenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide
CID 5239737
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
CID 4143510
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 4601771
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]oxamide
CID 6260851
N-(2-ethoxyphenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 135554201
N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 136690284
[2-methoxy-4-[[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 4249535

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide (CID 5049729) is N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide is COc1cc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)ccc1O.
What is the InChIKey of N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The InChIKey is BBLYTCVBHKEWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O5/c1-33-20-12-14(6-11-19(20)29)13-25-28-23(32)22(31)27-18-5-3-2-4-17(18)21(30)26-16-9-7-15(24)8-10-16/h2-13,29H,1H3,(H,26,30)(H,27,31)(H,28,32).
What are the key properties of N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide has a molecular weight of 466.88 g/mol, XLogP of 3.40, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 5049729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).