N-[3,4-bis(methylideneamino)phenyl]-5-chloro-2-hydroxybenzamide

C15H12ClN3O2 — CID 145086481

IUPACN-[3,4-bis(methylideneamino)phenyl]-5-chloro-2-hydroxybenzamide
SMILESC=Nc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1N=C
InChIInChI=1S/C15H12ClN3O2/c1-17-12-5-4-10(8-13(12)18-2)19-15(21)11-7-9(16)3-6-14(11)20/h3-8,20H,1-2H2,(H,19,21)
InChIKeyXPVOSXPPXVCVND-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.96
Rot. Bonds4

About N-[3,4-bis(methylideneamino)phenyl]-5-chloro-2-hydroxybenzamide

N-[3,4-bis(methylideneamino)phenyl]-5-chloro-2-hydroxybenzamide (PubChem CID 145086481) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is N-[3,4-bis(methylideneamino)phenyl]-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3,4-bis(methylideneamino)phenyl]-5-chloro-2-hydroxybenzamide
PubChem CID145086481
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC NameN-[3,4-bis(methylideneamino)phenyl]-5-chloro-2-hydroxybenzamide
SMILESC=Nc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1N=C
InChIInChI=1S/C15H12ClN3O2/c1-17-12-5-4-10(8-13(12)18-2)19-15(21)11-7-9(16)3-6-14(11)20/h3-8,20H,1-2H2,(H,19,21)
InChIKeyXPVOSXPPXVCVND-UHFFFAOYSA-N
XLogP3.96
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-bromophenyl)-5-chloro-2-hydroxybenzamide
CID 79767581
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 163300797
5-chloro-N-(4-formylphenyl)-2-hydroxybenzamide
CID 106912269
N-(4-bromo-3-methylphenyl)-5-chloro-2-hydroxybenzamide
CID 28532000
5-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 63653834
5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62812024
5-chloro-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2-hydroxybenzamide
CID 1203722
2,5-dichloro-N-(4-chloro-3-hydroxyphenyl)benzamide
CID 64789245
5-chloro-N-(3,5-dichloro-4-methylphenyl)-2-hydroxybenzamide
CID 167679776
5-chloro-N-(2-chloropyrimidin-5-yl)-2-hydroxybenzamide
CID 121352747
5-chloro-2-hydroxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 47317877
N-(3-bromo-4-methoxyphenyl)-5-chloro-2-hydroxybenzamide
CID 63998623

Frequently Asked Questions

What is the IUPAC name of N-[3,4-bis(methylideneamino)phenyl]-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-[3,4-bis(methylideneamino)phenyl]-5-chloro-2-hydroxybenzamide (CID 145086481) is N-[3,4-bis(methylideneamino)phenyl]-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[3,4-bis(methylideneamino)phenyl]-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[3,4-bis(methylideneamino)phenyl]-5-chloro-2-hydroxybenzamide is C=Nc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1N=C.
What is the InChIKey of N-[3,4-bis(methylideneamino)phenyl]-5-chloro-2-hydroxybenzamide?
The InChIKey is XPVOSXPPXVCVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-17-12-5-4-10(8-13(12)18-2)19-15(21)11-7-9(16)3-6-14(11)20/h3-8,20H,1-2H2,(H,19,21).
What are the key properties of N-[3,4-bis(methylideneamino)phenyl]-5-chloro-2-hydroxybenzamide?
N-[3,4-bis(methylideneamino)phenyl]-5-chloro-2-hydroxybenzamide has a molecular weight of 301.73 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-bis(methylideneamino)phenyl]-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 145086481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).