3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyimino-2-methylpropanamide

C11H11ClF3N3O2 — CID 76926011

IUPAC3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(N)=NO
InChIInChI=1S/C11H11ClF3N3O2/c1-5(9(16)18-20)10(19)17-6-2-3-8(12)7(4-6)11(13,14)15/h2-5,20H,1H3,(H2,16,18)(H,17,19)
InChIKeyBQMGOFWDSFMWQK-UHFFFAOYSA-N
MW309.68 g/mol
LogP2.68
Rot. Bonds3

About 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyimino-2-methylpropanamide

3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyimino-2-methylpropanamide (PubChem CID 76926011) has the molecular formula C11H11ClF3N3O2 and a molecular weight of 309.68 g/mol. Its IUPAC name is 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyimino-2-methylpropanamide
PubChem CID76926011
Molecular FormulaC11H11ClF3N3O2
Molecular Weight309.68 g/mol
Exact Mass309.05
IUPAC Name3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(N)=NO
InChIInChI=1S/C11H11ClF3N3O2/c1-5(9(16)18-20)10(19)17-6-2-3-8(12)7(4-6)11(13,14)15/h2-5,20H,1H3,(H2,16,18)(H,17,19)
InChIKeyBQMGOFWDSFMWQK-UHFFFAOYSA-N
XLogP2.68
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 82134049
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 43245822
[1-[4-chloro-3-(trifluoromethyl)anilino]-3,3-dimethyl-1-oxobutan-2-yl] carbamate
CID 175343547
3-amino-N-(4-tert-butylphenyl)-3-hydroxyimino-2-methylpropanamide
CID 76926765
propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate
CID 51062424
[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] propanoate
CID 18270404
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide
CID 60852209
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 46601417
(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92681030
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-sulfanylidenepropanamide
CID 43132915
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79017846

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyimino-2-methylpropanamide?
The IUPAC name of 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyimino-2-methylpropanamide (CID 76926011) is 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyimino-2-methylpropanamide is CC(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(N)=NO.
What is the InChIKey of 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyimino-2-methylpropanamide?
The InChIKey is BQMGOFWDSFMWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3O2/c1-5(9(16)18-20)10(19)17-6-2-3-8(12)7(4-6)11(13,14)15/h2-5,20H,1H3,(H2,16,18)(H,17,19).
What are the key properties of 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyimino-2-methylpropanamide?
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyimino-2-methylpropanamide has a molecular weight of 309.68 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyimino-2-methylpropanamide is sourced from PubChem (CID 76926011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).