N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide

C22H19N3O4 — CID 136863468

IUPACN-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccc(O)cc3O)cc2)cc1
InChIInChI=1S/C22H19N3O4/c1-14-2-4-15(5-3-14)21(28)24-18-9-6-16(7-10-18)22(29)25-23-13-17-8-11-19(26)12-20(17)27/h2-13,26-27H,1H3,(H,24,28)(H,25,29)/b23-13-
InChIKeyUSXIODQVBICNCW-QRVIBDJDSA-N
MW389.41 g/mol
LogP3.42
Rot. Bonds5

About N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide

N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide (PubChem CID 136863468) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide
PubChem CID136863468
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccc(O)cc3O)cc2)cc1
InChIInChI=1S/C22H19N3O4/c1-14-2-4-15(5-3-14)21(28)24-18-9-6-16(7-10-18)22(29)25-23-13-17-8-11-19(26)12-20(17)27/h2-13,26-27H,1H3,(H,24,28)(H,25,29)/b23-13-
InChIKeyUSXIODQVBICNCW-QRVIBDJDSA-N
XLogP3.42
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135628281
4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 689755
2-chloro-N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 136890963
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide
CID 135673755
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
2,4-dichloro-N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 137173612
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-(1-methylcyclopropyl)benzamide
CID 137037301
2-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 3247783
N-[(2,4-dihydroxyphenyl)methylideneamino]-3-methyl-4-nitrobenzamide
CID 155679940
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
N-[4-[[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide
CID 135560215

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide (CID 136863468) is N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccc(O)cc3O)cc2)cc1.
What is the InChIKey of N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide?
The InChIKey is USXIODQVBICNCW-QRVIBDJDSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-14-2-4-15(5-3-14)21(28)24-18-9-6-16(7-10-18)22(29)25-23-13-17-8-11-19(26)12-20(17)27/h2-13,26-27H,1H3,(H,24,28)(H,25,29)/b23-13-.
What are the key properties of N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide?
N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide has a molecular weight of 389.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 136863468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).