N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide

C21H17ClN2O3 — CID 94838632

IUPACN-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C\c1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1O
InChIInChI=1S/C21H17ClN2O3/c22-17-5-3-4-16(12-17)14-27-18-10-8-15(9-11-18)13-23-24-21(26)19-6-1-2-7-20(19)25/h1-13,25H,14H2,(H,24,26)/b23-13-
InChIKeyIHMPRCKCPWCPCB-QRVIBDJDSA-N
MW380.83 g/mol
LogP4.39
Rot. Bonds6

About N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide

N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide (PubChem CID 94838632) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide
PubChem CID94838632
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC NameN-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C\c1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1O
InChIInChI=1S/C21H17ClN2O3/c22-17-5-3-4-16(12-17)14-27-18-10-8-15(9-11-18)13-23-24-21(26)19-6-1-2-7-20(19)25/h1-13,25H,14H2,(H,24,26)/b23-13-
InChIKeyIHMPRCKCPWCPCB-QRVIBDJDSA-N
XLogP4.39
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245419
N-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246369
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 1274166
2-[(2E)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339708
2-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 916420
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
N-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126394512
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5437477
N'-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 8930207
2-benzylsulfanyl-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]propanamide
CID 3110500
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383078
N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 126372815

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide (CID 94838632) is N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide is O=C(N/N=C\c1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1O.
What is the InChIKey of N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is IHMPRCKCPWCPCB-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c22-17-5-3-4-16(12-17)14-27-18-10-8-15(9-11-18)13-23-24-21(26)19-6-1-2-7-20(19)25/h1-13,25H,14H2,(H,24,26)/b23-13-.
What are the key properties of N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide?
N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 380.83 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 94838632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).