(1R,6R)-N'-(2-chlorobenzoyl)bicyclo[4.1.0]heptane-7-carbohydrazide

C15H17ClN2O2 — CID 795714

IUPAC(1R,6R)-N'-(2-chlorobenzoyl)bicyclo[4.1.0]heptane-7-carbohydrazide
SMILESO=C(NNC(=O)C1[C@@H]2CCCC[C@@H]12)c1ccccc1Cl
InChIInChI=1S/C15H17ClN2O2/c16-12-8-4-3-7-11(12)14(19)17-18-15(20)13-9-5-1-2-6-10(9)13/h3-4,7-10,13H,1-2,5-6H2,(H,17,19)(H,18,20)/t9-,10-/m1/s1
InChIKeyVYYSASPAEDDCKV-NXEZZACHSA-N
MW292.77 g/mol
LogP2.54
Rot. Bonds2

About (1R,6R)-N'-(2-chlorobenzoyl)bicyclo[4.1.0]heptane-7-carbohydrazide

(1R,6R)-N'-(2-chlorobenzoyl)bicyclo[4.1.0]heptane-7-carbohydrazide (PubChem CID 795714) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is (1R,6R)-N'-(2-chlorobenzoyl)bicyclo[4.1.0]heptane-7-carbohydrazide.

Molecular Properties

Compound Name(1R,6R)-N'-(2-chlorobenzoyl)bicyclo[4.1.0]heptane-7-carbohydrazide
PubChem CID795714
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name(1R,6R)-N'-(2-chlorobenzoyl)bicyclo[4.1.0]heptane-7-carbohydrazide
SMILESO=C(NNC(=O)C1[C@@H]2CCCC[C@@H]12)c1ccccc1Cl
InChIInChI=1S/C15H17ClN2O2/c16-12-8-4-3-7-11(12)14(19)17-18-15(20)13-9-5-1-2-6-10(9)13/h3-4,7-10,13H,1-2,5-6H2,(H,17,19)(H,18,20)/t9-,10-/m1/s1
InChIKeyVYYSASPAEDDCKV-NXEZZACHSA-N
XLogP2.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 78774908
2-chloro-N-[(cyclohexanecarbonylamino)carbamothioyl]benzamide
CID 3542788
2-chloro-N-cyclopentylbenzamide
CID 669043
(3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 8870376
2-amino-N'-(cyclopentanecarbonyl)benzohydrazide
CID 101455065
1-[(2-chlorobenzoyl)amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8657236
trans-(1R,3S)-3-[[(2-chlorobenzoyl)amino]carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 7037597
1-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-(3-chlorophenyl)urea
CID 98293387
(1R,6R)-N'-[(1R)-2,2-diphenylcyclopropanecarbonyl]bicyclo[4.1.0]heptane-7-carbohydrazide
CID 99724415
2-chloro-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9327127
N-[(2,6-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 5038735
N-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-2-chlorobenzamide
CID 2253575

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-N'-(2-chlorobenzoyl)bicyclo[4.1.0]heptane-7-carbohydrazide?
The IUPAC name of (1R,6R)-N'-(2-chlorobenzoyl)bicyclo[4.1.0]heptane-7-carbohydrazide (CID 795714) is (1R,6R)-N'-(2-chlorobenzoyl)bicyclo[4.1.0]heptane-7-carbohydrazide.
What is the SMILES notation for (1R,6R)-N'-(2-chlorobenzoyl)bicyclo[4.1.0]heptane-7-carbohydrazide?
The canonical SMILES for (1R,6R)-N'-(2-chlorobenzoyl)bicyclo[4.1.0]heptane-7-carbohydrazide is O=C(NNC(=O)C1[C@@H]2CCCC[C@@H]12)c1ccccc1Cl.
What is the InChIKey of (1R,6R)-N'-(2-chlorobenzoyl)bicyclo[4.1.0]heptane-7-carbohydrazide?
The InChIKey is VYYSASPAEDDCKV-NXEZZACHSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-12-8-4-3-7-11(12)14(19)17-18-15(20)13-9-5-1-2-6-10(9)13/h3-4,7-10,13H,1-2,5-6H2,(H,17,19)(H,18,20)/t9-,10-/m1/s1.
What are the key properties of (1R,6R)-N'-(2-chlorobenzoyl)bicyclo[4.1.0]heptane-7-carbohydrazide?
(1R,6R)-N'-(2-chlorobenzoyl)bicyclo[4.1.0]heptane-7-carbohydrazide has a molecular weight of 292.77 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-N'-(2-chlorobenzoyl)bicyclo[4.1.0]heptane-7-carbohydrazide is sourced from PubChem (CID 795714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).