3-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]benzohydrazide

C18H18N2O2 — CID 8022943

IUPAC3-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]benzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccccc2)c1
InChIInChI=1S/C18H18N2O2/c1-12-6-5-9-14(10-12)17(21)19-20-18(22)16-11-15(16)13-7-3-2-4-8-13/h2-10,15-16H,11H2,1H3,(H,19,21)(H,20,22)/t15-,16+/m1/s1
InChIKeyIFZXDIZFMDVVBZ-CVEARBPZSA-N
MW294.35 g/mol
LogP2.56
Rot. Bonds3

About 3-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]benzohydrazide

3-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]benzohydrazide (PubChem CID 8022943) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]benzohydrazide.

Molecular Properties

Compound Name3-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]benzohydrazide
PubChem CID8022943
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]benzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccccc2)c1
InChIInChI=1S/C18H18N2O2/c1-12-6-5-9-14(10-12)17(21)19-20-18(22)16-11-15(16)13-7-3-2-4-8-13/h2-10,15-16H,11H2,1H3,(H,19,21)(H,20,22)/t15-,16+/m1/s1
InChIKeyIFZXDIZFMDVVBZ-CVEARBPZSA-N
XLogP2.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.56
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

6-[[(3-methylbenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 90291426
N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]benzohydrazide
CID 51291955
4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide
CID 6938443
trans-(1S,2S)-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 28912189
3-methyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 828309
1-(3-methylphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
CID 843482
4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid
CID 7430948
N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide
CID 691734
cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
CID 689551
(1R)-2,2-dibromo-1-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide
CID 11899326
N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 3128422
(2R)-N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 7406384

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]benzohydrazide?
The IUPAC name of 3-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]benzohydrazide (CID 8022943) is 3-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]benzohydrazide.
What is the SMILES notation for 3-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]benzohydrazide?
The canonical SMILES for 3-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]benzohydrazide is Cc1cccc(C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccccc2)c1.
What is the InChIKey of 3-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]benzohydrazide?
The InChIKey is IFZXDIZFMDVVBZ-CVEARBPZSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-6-5-9-14(10-12)17(21)19-20-18(22)16-11-15(16)13-7-3-2-4-8-13/h2-10,15-16H,11H2,1H3,(H,19,21)(H,20,22)/t15-,16+/m1/s1.
What are the key properties of 3-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]benzohydrazide?
3-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]benzohydrazide has a molecular weight of 294.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]benzohydrazide is sourced from PubChem (CID 8022943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).