2-amino-2-(2-chloro-5-fluoro-4-methylphenyl)-N'-methylacetohydrazide

C10H13ClFN3O — CID 116849471

IUPAC2-amino-2-(2-chloro-5-fluoro-4-methylphenyl)-N'-methylacetohydrazide
SMILESCNNC(=O)C(N)c1cc(F)c(C)cc1Cl
InChIInChI=1S/C10H13ClFN3O/c1-5-3-7(11)6(4-8(5)12)9(13)10(16)15-14-2/h3-4,9,14H,13H2,1-2H3,(H,15,16)
InChIKeyVLUJYJDPQDBYKV-UHFFFAOYSA-N
MW245.69 g/mol
LogP1.04
Rot. Bonds3

About 2-amino-2-(2-chloro-5-fluoro-4-methylphenyl)-N'-methylacetohydrazide

2-amino-2-(2-chloro-5-fluoro-4-methylphenyl)-N'-methylacetohydrazide (PubChem CID 116849471) has the molecular formula C10H13ClFN3O and a molecular weight of 245.69 g/mol. Its IUPAC name is 2-amino-2-(2-chloro-5-fluoro-4-methylphenyl)-N'-methylacetohydrazide.

Molecular Properties

Compound Name2-amino-2-(2-chloro-5-fluoro-4-methylphenyl)-N'-methylacetohydrazide
PubChem CID116849471
Molecular FormulaC10H13ClFN3O
Molecular Weight245.69 g/mol
Exact Mass245.07
IUPAC Name2-amino-2-(2-chloro-5-fluoro-4-methylphenyl)-N'-methylacetohydrazide
SMILESCNNC(=O)C(N)c1cc(F)c(C)cc1Cl
InChIInChI=1S/C10H13ClFN3O/c1-5-3-7(11)6(4-8(5)12)9(13)10(16)15-14-2/h3-4,9,14H,13H2,1-2H3,(H,15,16)
InChIKeyVLUJYJDPQDBYKV-UHFFFAOYSA-N
XLogP1.04
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 51.04
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

3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide
CID 116850996
1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol
CID 116859639
2-amino-2-(2-methoxy-4,5-dimethylphenyl)-N'-methylacetohydrazide
CID 116849362
3,4-diamino-4-(2-chloro-5-fluoro-4-methylphenyl)butanoic acid
CID 116942886
5-amino-5-(2-chloro-5-fluoro-4-methylphenyl)pentanoic acid
CID 116937894
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine
CID 116830356
1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934564
2-amino-N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-3-hydroxypropanamide
CID 115179929
2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 116827653
methyl (2S)-2-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanoate
CID 171238453
(1-aminocyclopropyl)-(2-chloro-5-fluoro-4-methylphenyl)methanol
CID 116836252
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol
CID 116830259

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-chloro-5-fluoro-4-methylphenyl)-N'-methylacetohydrazide?
The IUPAC name of 2-amino-2-(2-chloro-5-fluoro-4-methylphenyl)-N'-methylacetohydrazide (CID 116849471) is 2-amino-2-(2-chloro-5-fluoro-4-methylphenyl)-N'-methylacetohydrazide.
What is the SMILES notation for 2-amino-2-(2-chloro-5-fluoro-4-methylphenyl)-N'-methylacetohydrazide?
The canonical SMILES for 2-amino-2-(2-chloro-5-fluoro-4-methylphenyl)-N'-methylacetohydrazide is CNNC(=O)C(N)c1cc(F)c(C)cc1Cl.
What is the InChIKey of 2-amino-2-(2-chloro-5-fluoro-4-methylphenyl)-N'-methylacetohydrazide?
The InChIKey is VLUJYJDPQDBYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O/c1-5-3-7(11)6(4-8(5)12)9(13)10(16)15-14-2/h3-4,9,14H,13H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-2-(2-chloro-5-fluoro-4-methylphenyl)-N'-methylacetohydrazide?
2-amino-2-(2-chloro-5-fluoro-4-methylphenyl)-N'-methylacetohydrazide has a molecular weight of 245.69 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-chloro-5-fluoro-4-methylphenyl)-N'-methylacetohydrazide is sourced from PubChem (CID 116849471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).