5-chloro-2-fluoro-N'-[2-(4-methylanilino)acetyl]benzohydrazide

C16H15ClFN3O2 — CID 18140176

IUPAC5-chloro-2-fluoro-N'-[2-(4-methylanilino)acetyl]benzohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C16H15ClFN3O2/c1-10-2-5-12(6-3-10)19-9-15(22)20-21-16(23)13-8-11(17)4-7-14(13)18/h2-8,19H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyAJCVQNTVSIRVLV-UHFFFAOYSA-N
MW335.77 g/mol
LogP2.66
Rot. Bonds4

About 5-chloro-2-fluoro-N'-[2-(4-methylanilino)acetyl]benzohydrazide

5-chloro-2-fluoro-N'-[2-(4-methylanilino)acetyl]benzohydrazide (PubChem CID 18140176) has the molecular formula C16H15ClFN3O2 and a molecular weight of 335.77 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N'-[2-(4-methylanilino)acetyl]benzohydrazide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N'-[2-(4-methylanilino)acetyl]benzohydrazide
PubChem CID18140176
Molecular FormulaC16H15ClFN3O2
Molecular Weight335.77 g/mol
Exact Mass335.08
IUPAC Name5-chloro-2-fluoro-N'-[2-(4-methylanilino)acetyl]benzohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C16H15ClFN3O2/c1-10-2-5-12(6-3-10)19-9-15(22)20-21-16(23)13-8-11(17)4-7-14(13)18/h2-8,19H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyAJCVQNTVSIRVLV-UHFFFAOYSA-N
XLogP2.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-iodo-N'-[2-(4-methylanilino)acetyl]benzohydrazide
CID 56502474
1-(3-chloro-4-fluorophenyl)-3-[[2-(4-methylanilino)acetyl]amino]thiourea
CID 8617704
2-(5-chloro-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 43385683
2-(4-chloro-3-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 60536545
5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 9091331
2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide
CID 9098972
5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 78873426
2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide
CID 56502731
5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 32559967
N'-[2-(4-methylanilino)acetyl]-4-(trifluoromethylsulfanyl)benzohydrazide
CID 18267359
2-(4-chloroanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 26506560
N'-[2-(4-methylanilino)acetyl]-3-methylsulfonylbenzohydrazide
CID 55350628

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N'-[2-(4-methylanilino)acetyl]benzohydrazide?
The IUPAC name of 5-chloro-2-fluoro-N'-[2-(4-methylanilino)acetyl]benzohydrazide (CID 18140176) is 5-chloro-2-fluoro-N'-[2-(4-methylanilino)acetyl]benzohydrazide.
What is the SMILES notation for 5-chloro-2-fluoro-N'-[2-(4-methylanilino)acetyl]benzohydrazide?
The canonical SMILES for 5-chloro-2-fluoro-N'-[2-(4-methylanilino)acetyl]benzohydrazide is Cc1ccc(NCC(=O)NNC(=O)c2cc(Cl)ccc2F)cc1.
What is the InChIKey of 5-chloro-2-fluoro-N'-[2-(4-methylanilino)acetyl]benzohydrazide?
The InChIKey is AJCVQNTVSIRVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O2/c1-10-2-5-12(6-3-10)19-9-15(22)20-21-16(23)13-8-11(17)4-7-14(13)18/h2-8,19H,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 5-chloro-2-fluoro-N'-[2-(4-methylanilino)acetyl]benzohydrazide?
5-chloro-2-fluoro-N'-[2-(4-methylanilino)acetyl]benzohydrazide has a molecular weight of 335.77 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N'-[2-(4-methylanilino)acetyl]benzohydrazide is sourced from PubChem (CID 18140176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).