N-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]naphthalene-2-carboxamide

C24H18N2O3 — CID 135853166

IUPACN-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]naphthalene-2-carboxamide
SMILESO=C(N/N=C(/c1ccccc1)c1ccc(O)cc1O)c1ccc2ccccc2c1
InChIInChI=1S/C24H18N2O3/c27-20-12-13-21(22(28)15-20)23(17-7-2-1-3-8-17)25-26-24(29)19-11-10-16-6-4-5-9-18(16)14-19/h1-15,27-28H,(H,26,29)/b25-23-
InChIKeyCBKDMCZBZREBRZ-BZZOAKBMSA-N
MW382.42 g/mol
LogP4.43
Rot. Bonds4

About N-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]naphthalene-2-carboxamide

N-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]naphthalene-2-carboxamide (PubChem CID 135853166) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]naphthalene-2-carboxamide
PubChem CID135853166
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC NameN-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]naphthalene-2-carboxamide
SMILESO=C(N/N=C(/c1ccccc1)c1ccc(O)cc1O)c1ccc2ccccc2c1
InChIInChI=1S/C24H18N2O3/c27-20-12-13-21(22(28)15-20)23(17-7-2-1-3-8-17)25-26-24(29)19-11-10-16-6-4-5-9-18(16)14-19/h1-15,27-28H,(H,26,29)/b25-23-
InChIKeyCBKDMCZBZREBRZ-BZZOAKBMSA-N
XLogP4.43
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[1-(3-hydroxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 139767693
[[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]thiourea
CID 3958079
3-hydroxy-N-(1-naphthalen-2-ylethylideneamino)naphthalene-2-carboxamide
CID 4655754
N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250
N-(2-hydroxybenzoyl)naphthalene-2-carboxamide
CID 57386028
N-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 71673973
N-(benzhydrylideneamino)-2-hydroxybenzamide
CID 24574931
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 135738429
naphthalene-2-carboxylic acid;naphthalen-2-ol
CID 161405760
4-[[bis(2-hydroxyphenyl)methylideneamino]carbamoyl]benzoic acid
CID 139929758
3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 135673825
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]naphthalene-2-carboxamide?
The IUPAC name of N-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]naphthalene-2-carboxamide (CID 135853166) is N-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]naphthalene-2-carboxamide?
The canonical SMILES for N-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]naphthalene-2-carboxamide is O=C(N/N=C(/c1ccccc1)c1ccc(O)cc1O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]naphthalene-2-carboxamide?
The InChIKey is CBKDMCZBZREBRZ-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H18N2O3/c27-20-12-13-21(22(28)15-20)23(17-7-2-1-3-8-17)25-26-24(29)19-11-10-16-6-4-5-9-18(16)14-19/h1-15,27-28H,(H,26,29)/b25-23-.
What are the key properties of N-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]naphthalene-2-carboxamide?
N-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]naphthalene-2-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 4.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]naphthalene-2-carboxamide is sourced from PubChem (CID 135853166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).