4-chloro-N'-(1-prop-2-enylcycloheptyl)benzohydrazide

C17H23ClN2O — CID 139242076

IUPAC4-chloro-N'-(1-prop-2-enylcycloheptyl)benzohydrazide
SMILESC=CCC1(NNC(=O)c2ccc(Cl)cc2)CCCCCC1
InChIInChI=1S/C17H23ClN2O/c1-2-11-17(12-5-3-4-6-13-17)20-19-16(21)14-7-9-15(18)10-8-14/h2,7-10,20H,1,3-6,11-13H2,(H,19,21)
InChIKeyMWKVPOMVZQKDNU-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.24
Rot. Bonds5

About 4-chloro-N'-(1-prop-2-enylcycloheptyl)benzohydrazide

4-chloro-N'-(1-prop-2-enylcycloheptyl)benzohydrazide (PubChem CID 139242076) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 4-chloro-N'-(1-prop-2-enylcycloheptyl)benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(1-prop-2-enylcycloheptyl)benzohydrazide
PubChem CID139242076
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name4-chloro-N'-(1-prop-2-enylcycloheptyl)benzohydrazide
SMILESC=CCC1(NNC(=O)c2ccc(Cl)cc2)CCCCCC1
InChIInChI=1S/C17H23ClN2O/c1-2-11-17(12-5-3-4-6-13-17)20-19-16(21)14-7-9-15(18)10-8-14/h2,7-10,20H,1,3-6,11-13H2,(H,19,21)
InChIKeyMWKVPOMVZQKDNU-UHFFFAOYSA-N
XLogP4.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N'-(1-prop-2-enylcyclobutyl)benzohydrazide
CID 139242073
4-methyl-N'-(1-prop-2-enylcyclobutyl)benzohydrazide
CID 139242072
N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide
CID 114311465
N'-(1-prop-2-enylcyclopentyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 139983760
2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845388
4-chloro-N'-prop-2-enoylbenzohydrazide
CID 101094215
N-(1-prop-2-enylcyclohexyl)aniline
CID 599883
N'-acetyl-4-chlorobenzohydrazide
CID 799230
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
2-[(1-prop-2-enylcyclohexyl)amino]ethanol
CID 2818347
4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527504
4-chloro-N'-(2-phenylethyl)benzohydrazide
CID 110168183

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(1-prop-2-enylcycloheptyl)benzohydrazide?
The IUPAC name of 4-chloro-N'-(1-prop-2-enylcycloheptyl)benzohydrazide (CID 139242076) is 4-chloro-N'-(1-prop-2-enylcycloheptyl)benzohydrazide.
What is the SMILES notation for 4-chloro-N'-(1-prop-2-enylcycloheptyl)benzohydrazide?
The canonical SMILES for 4-chloro-N'-(1-prop-2-enylcycloheptyl)benzohydrazide is C=CCC1(NNC(=O)c2ccc(Cl)cc2)CCCCCC1.
What is the InChIKey of 4-chloro-N'-(1-prop-2-enylcycloheptyl)benzohydrazide?
The InChIKey is MWKVPOMVZQKDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-2-11-17(12-5-3-4-6-13-17)20-19-16(21)14-7-9-15(18)10-8-14/h2,7-10,20H,1,3-6,11-13H2,(H,19,21).
What are the key properties of 4-chloro-N'-(1-prop-2-enylcycloheptyl)benzohydrazide?
4-chloro-N'-(1-prop-2-enylcycloheptyl)benzohydrazide has a molecular weight of 306.84 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(1-prop-2-enylcycloheptyl)benzohydrazide is sourced from PubChem (CID 139242076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).