N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide

C16H13ClN2O2 — CID 4587352

IUPACN-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide
SMILESO=C(NN=CC(Cl)=Cc1ccccc1)c1ccccc1O
InChIInChI=1S/C16H13ClN2O2/c17-13(10-12-6-2-1-3-7-12)11-18-19-16(21)14-8-4-5-9-15(14)20/h1-11,20H,(H,19,21)
InChIKeyXSCWBIACZGGNMY-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.39
Rot. Bonds4

About N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide

N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide (PubChem CID 4587352) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide
PubChem CID4587352
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC NameN-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide
SMILESO=C(NN=CC(Cl)=Cc1ccccc1)c1ccccc1O
InChIInChI=1S/C16H13ClN2O2/c17-13(10-12-6-2-1-3-7-12)11-18-19-16(21)14-8-4-5-9-15(14)20/h1-11,20H,(H,19,21)
InChIKeyXSCWBIACZGGNMY-UHFFFAOYSA-N
XLogP3.39
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide
CID 5333947
2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6898776
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-pyrrol-1-ylbenzamide
CID 4086901
N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-methylfuran-3-carboxamide
CID 6879712
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide
CID 3883707
N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-chloro-3-phenylprop-2-enylidene)hydrazinyl]benzamide
CID 84582854
N-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide
CID 6861718
N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-pyrrole-2-carboxamide
CID 9025596
N-(2-benzylideneheptylideneamino)-2-hydroxybenzamide
CID 3110234
N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-5-phenyl-1,2-oxazole-3-carboxamide
CID 129432016
5-bromo-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide
CID 6896293
N-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid
CID 57397723

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide?
The IUPAC name of N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide (CID 4587352) is N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide?
The canonical SMILES for N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide is O=C(NN=CC(Cl)=Cc1ccccc1)c1ccccc1O.
What is the InChIKey of N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide?
The InChIKey is XSCWBIACZGGNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-13(10-12-6-2-1-3-7-12)11-18-19-16(21)14-8-4-5-9-15(14)20/h1-11,20H,(H,19,21).
What are the key properties of N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide?
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide has a molecular weight of 300.75 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide is sourced from PubChem (CID 4587352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).