N'-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2-methylbenzohydrazide

C17H14ClFN2O2 — CID 9220813

IUPACN'-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)/C=C/c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H14ClFN2O2/c1-11-4-2-3-5-13(11)17(23)21-20-16(22)9-7-12-6-8-15(19)14(18)10-12/h2-10H,1H3,(H,20,22)(H,21,23)/b9-7+
InChIKeyQKAMCDYISFLNNC-VQHVLOKHSA-N
MW332.76 g/mol
LogP3.26
Rot. Bonds3

About N'-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2-methylbenzohydrazide

N'-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2-methylbenzohydrazide (PubChem CID 9220813) has the molecular formula C17H14ClFN2O2 and a molecular weight of 332.76 g/mol. Its IUPAC name is N'-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2-methylbenzohydrazide
PubChem CID9220813
Molecular FormulaC17H14ClFN2O2
Molecular Weight332.76 g/mol
Exact Mass332.07
IUPAC NameN'-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)/C=C/c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H14ClFN2O2/c1-11-4-2-3-5-13(11)17(23)21-20-16(22)9-7-12-6-8-15(19)14(18)10-12/h2-10H,1H3,(H,20,22)(H,21,23)/b9-7+
InChIKeyQKAMCDYISFLNNC-VQHVLOKHSA-N
XLogP3.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-chloro-4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 8714064
N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide
CID 923611
2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide
CID 9220913
N'-[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide
CID 9220756
2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9339631
3-chloro-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9475643
(E)-3-[3-chloro-4-[(1E)-3-(2-methylphenyl)buta-1,3-dienyl]phenyl]-N-hydroxyprop-2-enamide
CID 143209581
(E)-3-(3-chloro-4-fluorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 8761699
(E)-3-(3-chloro-4-fluorophenyl)-N'-methyl-N'-phenylprop-2-enehydrazide
CID 9480110
(E)-3-(3-chloro-4-fluorophenyl)-N-(5-fluoro-2-methylphenyl)prop-2-enamide
CID 9097738
5-chloro-N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2-methoxybenzohydrazide
CID 9278532
3,5-dichloro-N'-(2-methylbenzoyl)benzohydrazide
CID 17133584

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2-methylbenzohydrazide?
The IUPAC name of N'-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2-methylbenzohydrazide (CID 9220813) is N'-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2-methylbenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2-methylbenzohydrazide?
The canonical SMILES for N'-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2-methylbenzohydrazide is Cc1ccccc1C(=O)NNC(=O)/C=C/c1ccc(F)c(Cl)c1.
What is the InChIKey of N'-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2-methylbenzohydrazide?
The InChIKey is QKAMCDYISFLNNC-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H14ClFN2O2/c1-11-4-2-3-5-13(11)17(23)21-20-16(22)9-7-12-6-8-15(19)14(18)10-12/h2-10H,1H3,(H,20,22)(H,21,23)/b9-7+.
What are the key properties of N'-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2-methylbenzohydrazide?
N'-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2-methylbenzohydrazide has a molecular weight of 332.76 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2-methylbenzohydrazide is sourced from PubChem (CID 9220813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).