2-[[(E)-(2-oxocycloheptylidene)methyl]amino]benzamide

C15H18N2O2 — CID 124549827

IUPAC2-[[(E)-(2-oxocycloheptylidene)methyl]amino]benzamide
SMILESNC(=O)c1ccccc1N/C=C1\CCCCCC1=O
InChIInChI=1S/C15H18N2O2/c16-15(19)12-7-4-5-8-13(12)17-10-11-6-2-1-3-9-14(11)18/h4-5,7-8,10,17H,1-3,6,9H2,(H2,16,19)/b11-10+
InChIKeyKGOUCWKJJAVDNG-ZHACJKMWSA-N
MW258.32 g/mol
LogP2.61
Rot. Bonds3

About 2-[[(E)-(2-oxocycloheptylidene)methyl]amino]benzamide

2-[[(E)-(2-oxocycloheptylidene)methyl]amino]benzamide (PubChem CID 124549827) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[(E)-(2-oxocycloheptylidene)methyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(E)-(2-oxocycloheptylidene)methyl]amino]benzamide
PubChem CID124549827
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[[(E)-(2-oxocycloheptylidene)methyl]amino]benzamide
SMILESNC(=O)c1ccccc1N/C=C1\CCCCCC1=O
InChIInChI=1S/C15H18N2O2/c16-15(19)12-7-4-5-8-13(12)17-10-11-6-2-1-3-9-14(11)18/h4-5,7-8,10,17H,1-3,6,9H2,(H2,16,19)/b11-10+
InChIKeyKGOUCWKJJAVDNG-ZHACJKMWSA-N
XLogP2.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzamide
CID 890561
2-(anilinomethylidene)cycloheptan-1-one
CID 3677087
2-[[4-[(2-oxocyclohexylidene)methylamino]anilino]methylidene]cyclohexan-1-one
CID 3847923
4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzoic acid
CID 890959
2-(chloroamino)benzamide
CID 54562633
2-[(2,4-dimethoxyanilino)methylidene]cycloheptan-1-one
CID 5153104
2-[(2-carbamoylphenyl)carbamoyl]cyclohexene-1-carboxylate
CID 6985731
(2E)-2-phenacylidenecycloheptan-1-one
CID 67785794
2-[[2-(4-oxopiperidin-1-yl)acetyl]amino]benzamide
CID 82342701
1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide
CID 115443739
2-[[(Z)-2-cyano-3-(cyclododecylamino)-3-oxoprop-1-enyl]amino]benzamide
CID 108862742
2-(cyclopropylamino)benzamide
CID 119089293

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-(2-oxocycloheptylidene)methyl]amino]benzamide?
The IUPAC name of 2-[[(E)-(2-oxocycloheptylidene)methyl]amino]benzamide (CID 124549827) is 2-[[(E)-(2-oxocycloheptylidene)methyl]amino]benzamide.
What is the SMILES notation for 2-[[(E)-(2-oxocycloheptylidene)methyl]amino]benzamide?
The canonical SMILES for 2-[[(E)-(2-oxocycloheptylidene)methyl]amino]benzamide is NC(=O)c1ccccc1N/C=C1\CCCCCC1=O.
What is the InChIKey of 2-[[(E)-(2-oxocycloheptylidene)methyl]amino]benzamide?
The InChIKey is KGOUCWKJJAVDNG-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-15(19)12-7-4-5-8-13(12)17-10-11-6-2-1-3-9-14(11)18/h4-5,7-8,10,17H,1-3,6,9H2,(H2,16,19)/b11-10+.
What are the key properties of 2-[[(E)-(2-oxocycloheptylidene)methyl]amino]benzamide?
2-[[(E)-(2-oxocycloheptylidene)methyl]amino]benzamide has a molecular weight of 258.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-(2-oxocycloheptylidene)methyl]amino]benzamide is sourced from PubChem (CID 124549827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).