(E)-3-(2-chloro-6-fluorophenyl)-N'-methyl-N'-phenylprop-2-enehydrazide

C16H14ClFN2O — CID 9480207

IUPAC(E)-3-(2-chloro-6-fluorophenyl)-N'-methyl-N'-phenylprop-2-enehydrazide
SMILESCN(NC(=O)/C=C/c1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C16H14ClFN2O/c1-20(12-6-3-2-4-7-12)19-16(21)11-10-13-14(17)8-5-9-15(13)18/h2-11H,1H3,(H,19,21)/b11-10+
InChIKeyLTVQAIORBPWWPE-ZHACJKMWSA-N
MW304.75 g/mol
LogP3.66
Rot. Bonds4

About (E)-3-(2-chloro-6-fluorophenyl)-N'-methyl-N'-phenylprop-2-enehydrazide

(E)-3-(2-chloro-6-fluorophenyl)-N'-methyl-N'-phenylprop-2-enehydrazide (PubChem CID 9480207) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is (E)-3-(2-chloro-6-fluorophenyl)-N'-methyl-N'-phenylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(2-chloro-6-fluorophenyl)-N'-methyl-N'-phenylprop-2-enehydrazide
PubChem CID9480207
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name(E)-3-(2-chloro-6-fluorophenyl)-N'-methyl-N'-phenylprop-2-enehydrazide
SMILESCN(NC(=O)/C=C/c1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C16H14ClFN2O/c1-20(12-6-3-2-4-7-12)19-16(21)11-10-13-14(17)8-5-9-15(13)18/h2-11H,1H3,(H,19,21)/b11-10+
InChIKeyLTVQAIORBPWWPE-ZHACJKMWSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.66
H-Bond Donors ≤ 51
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'-methyl-N'-phenylprop-2-enehydrazide
CID 9480110
N-benzyl-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 897129
3-(2-chloro-6-fluorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 2932986
[2-(N-methylanilino)-2-oxoethyl] (E)-3-(2-chloro-6-fluorophenyl)prop-2-enoate
CID 27775721
1,5-bis(2-chloro-6-fluorophenyl)penta-1,4-dien-3-one
CID 2780185
(E)-3-(2-chloro-6-fluorophenyl)-N-propylprop-2-enamide
CID 6176761
(E)-3-(2-chloro-6-fluorophenyl)-N-(3-methylbutyl)prop-2-enamide
CID 6166283
2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 43354105
3-(2-chloro-6-fluorophenyl)-N-cyanoprop-2-enamide
CID 79193896
(E)-3-(2-chloro-6-fluorophenyl)-N-[3-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 6265107
2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-cyclopropylpropanoic acid
CID 43172580
3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide
CID 3685780

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloro-6-fluorophenyl)-N'-methyl-N'-phenylprop-2-enehydrazide?
The IUPAC name of (E)-3-(2-chloro-6-fluorophenyl)-N'-methyl-N'-phenylprop-2-enehydrazide (CID 9480207) is (E)-3-(2-chloro-6-fluorophenyl)-N'-methyl-N'-phenylprop-2-enehydrazide.
What is the SMILES notation for (E)-3-(2-chloro-6-fluorophenyl)-N'-methyl-N'-phenylprop-2-enehydrazide?
The canonical SMILES for (E)-3-(2-chloro-6-fluorophenyl)-N'-methyl-N'-phenylprop-2-enehydrazide is CN(NC(=O)/C=C/c1c(F)cccc1Cl)c1ccccc1.
What is the InChIKey of (E)-3-(2-chloro-6-fluorophenyl)-N'-methyl-N'-phenylprop-2-enehydrazide?
The InChIKey is LTVQAIORBPWWPE-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c1-20(12-6-3-2-4-7-12)19-16(21)11-10-13-14(17)8-5-9-15(13)18/h2-11H,1H3,(H,19,21)/b11-10+.
What are the key properties of (E)-3-(2-chloro-6-fluorophenyl)-N'-methyl-N'-phenylprop-2-enehydrazide?
(E)-3-(2-chloro-6-fluorophenyl)-N'-methyl-N'-phenylprop-2-enehydrazide has a molecular weight of 304.75 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloro-6-fluorophenyl)-N'-methyl-N'-phenylprop-2-enehydrazide is sourced from PubChem (CID 9480207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).