4-chloro-N-(cycloheptylideneamino)-2-hydroxybenzamide

C14H17ClN2O2 — CID 780477

IUPAC4-chloro-N-(cycloheptylideneamino)-2-hydroxybenzamide
SMILESO=C(NN=C1CCCCCC1)c1ccc(Cl)cc1O
InChIInChI=1S/C14H17ClN2O2/c15-10-7-8-12(13(18)9-10)14(19)17-16-11-5-3-1-2-4-6-11/h7-9,18H,1-6H2,(H,17,19)
InChIKeyXIBRUZAHFAMMRK-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.49
Rot. Bonds2

About 4-chloro-N-(cycloheptylideneamino)-2-hydroxybenzamide

4-chloro-N-(cycloheptylideneamino)-2-hydroxybenzamide (PubChem CID 780477) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 4-chloro-N-(cycloheptylideneamino)-2-hydroxybenzamide.

Molecular Properties

Compound Name4-chloro-N-(cycloheptylideneamino)-2-hydroxybenzamide
PubChem CID780477
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name4-chloro-N-(cycloheptylideneamino)-2-hydroxybenzamide
SMILESO=C(NN=C1CCCCCC1)c1ccc(Cl)cc1O
InChIInChI=1S/C14H17ClN2O2/c15-10-7-8-12(13(18)9-10)14(19)17-16-11-5-3-1-2-4-6-11/h7-9,18H,1-6H2,(H,17,19)
InChIKeyXIBRUZAHFAMMRK-UHFFFAOYSA-N
XLogP3.49
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.49
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-[(4-tert-butylcyclohexylidene)amino]-4-chloro-2-hydroxybenzamide
CID 17338162
5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide
CID 4626462
2-hydroxy-N-[[4-[(2-hydroxybenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide
CID 4240118
2-(4-chlorophenyl)-N-(cyclohexylideneamino)acetamide
CID 4938145
N-(cyclooctylideneamino)-2,5-dimethylfuran-3-carboxamide
CID 7929165
4-chloro-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 61217012
N-(2-adamantylideneamino)-5-chloro-2-hydroxybenzamide
CID 840860
N-(cyclododecylideneamino)benzamide
CID 4147051
5-chloro-2-hydroxy-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]benzamide
CID 869893
3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide
CID 1240483
N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide
CID 1219274
4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide
CID 162787095

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cycloheptylideneamino)-2-hydroxybenzamide?
The IUPAC name of 4-chloro-N-(cycloheptylideneamino)-2-hydroxybenzamide (CID 780477) is 4-chloro-N-(cycloheptylideneamino)-2-hydroxybenzamide.
What is the SMILES notation for 4-chloro-N-(cycloheptylideneamino)-2-hydroxybenzamide?
The canonical SMILES for 4-chloro-N-(cycloheptylideneamino)-2-hydroxybenzamide is O=C(NN=C1CCCCCC1)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-N-(cycloheptylideneamino)-2-hydroxybenzamide?
The InChIKey is XIBRUZAHFAMMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-10-7-8-12(13(18)9-10)14(19)17-16-11-5-3-1-2-4-6-11/h7-9,18H,1-6H2,(H,17,19).
What are the key properties of 4-chloro-N-(cycloheptylideneamino)-2-hydroxybenzamide?
4-chloro-N-(cycloheptylideneamino)-2-hydroxybenzamide has a molecular weight of 280.75 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cycloheptylideneamino)-2-hydroxybenzamide is sourced from PubChem (CID 780477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).