3,3,3-trifluoro-N-[3-[hydroxy(oxido)amino]phenyl]-2-(trifluoromethyl)propanamide

C10H7F6N2O3- — CID 163164985

IUPAC3,3,3-trifluoro-N-[3-[hydroxy(oxido)amino]phenyl]-2-(trifluoromethyl)propanamide
SMILESO=C(Nc1cccc(N([O-])O)c1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H7F6N2O3/c11-9(12,13)7(10(14,15)16)8(19)17-5-2-1-3-6(4-5)18(20)21/h1-4,7,20H,(H,17,19)/q-1
InChIKeyPVICISCTYBSYNI-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.06
Rot. Bonds3

About 3,3,3-trifluoro-N-[3-[hydroxy(oxido)amino]phenyl]-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-[3-[hydroxy(oxido)amino]phenyl]-2-(trifluoromethyl)propanamide (PubChem CID 163164985) has the molecular formula C10H7F6N2O3- and a molecular weight of 317.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[3-[hydroxy(oxido)amino]phenyl]-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[3-[hydroxy(oxido)amino]phenyl]-2-(trifluoromethyl)propanamide
PubChem CID163164985
Molecular FormulaC10H7F6N2O3-
Molecular Weight317.17 g/mol
Exact Mass317.04
IUPAC Name3,3,3-trifluoro-N-[3-[hydroxy(oxido)amino]phenyl]-2-(trifluoromethyl)propanamide
SMILESO=C(Nc1cccc(N([O-])O)c1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H7F6N2O3/c11-9(12,13)7(10(14,15)16)8(19)17-5-2-1-3-6(4-5)18(20)21/h1-4,7,20H,(H,17,19)/q-1
InChIKeyPVICISCTYBSYNI-UHFFFAOYSA-N
XLogP3.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309828
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[3-[hydroxy(oxido)amino]phenyl]propanamide
CID 163160634
(1S,2R,3R,4S)-2-N,3-N-bis[3-[hydroxy(oxido)amino]phenyl]bicyclo[2.2.2]oct-5-ene-2,3-dicarboxamide
CID 163152070
methyl N-[(E)-[4-[3-[hydroxy(oxido)amino]anilino]-4-oxobutan-2-ylidene]amino]carbamate
CID 20844014
1-[[3-[hydroxy(oxido)amino]benzoyl]amino]-3-phenylurea
CID 163182175
N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide
CID 71934917
(2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide
CID 119331740
2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 56920914
2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide
CID 840731
2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide
CID 107472557
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide
CID 108529062
3-[3-[hydroxy(oxido)amino]anilino]cyclohex-2-en-1-one
CID 163137695

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[3-[hydroxy(oxido)amino]phenyl]-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[3-[hydroxy(oxido)amino]phenyl]-2-(trifluoromethyl)propanamide (CID 163164985) is 3,3,3-trifluoro-N-[3-[hydroxy(oxido)amino]phenyl]-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[3-[hydroxy(oxido)amino]phenyl]-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[3-[hydroxy(oxido)amino]phenyl]-2-(trifluoromethyl)propanamide is O=C(Nc1cccc(N([O-])O)c1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[3-[hydroxy(oxido)amino]phenyl]-2-(trifluoromethyl)propanamide?
The InChIKey is PVICISCTYBSYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6N2O3/c11-9(12,13)7(10(14,15)16)8(19)17-5-2-1-3-6(4-5)18(20)21/h1-4,7,20H,(H,17,19)/q-1.
What are the key properties of 3,3,3-trifluoro-N-[3-[hydroxy(oxido)amino]phenyl]-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-[3-[hydroxy(oxido)amino]phenyl]-2-(trifluoromethyl)propanamide has a molecular weight of 317.17 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[3-[hydroxy(oxido)amino]phenyl]-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 163164985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).