4-fluoro-N-[(1S)-2-[4-(hydroxyamino)anilino]-2-oxo-1-phenylethyl]benzamide

C21H18FN3O3 — CID 72705119

IUPAC4-fluoro-N-[(1S)-2-[4-(hydroxyamino)anilino]-2-oxo-1-phenylethyl]benzamide
SMILESO=C(N[C@H](C(=O)Nc1ccc(NO)cc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H18FN3O3/c22-16-8-6-15(7-9-16)20(26)24-19(14-4-2-1-3-5-14)21(27)23-17-10-12-18(25-28)13-11-17/h1-13,19,25,28H,(H,23,27)(H,24,26)/t19-/m0/s1
InChIKeyMHQNQIJWOQFFIV-IBGZPJMESA-N
MW379.39 g/mol
LogP3.74
Rot. Bonds6

About 4-fluoro-N-[(1S)-2-[4-(hydroxyamino)anilino]-2-oxo-1-phenylethyl]benzamide

4-fluoro-N-[(1S)-2-[4-(hydroxyamino)anilino]-2-oxo-1-phenylethyl]benzamide (PubChem CID 72705119) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is 4-fluoro-N-[(1S)-2-[4-(hydroxyamino)anilino]-2-oxo-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1S)-2-[4-(hydroxyamino)anilino]-2-oxo-1-phenylethyl]benzamide
PubChem CID72705119
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name4-fluoro-N-[(1S)-2-[4-(hydroxyamino)anilino]-2-oxo-1-phenylethyl]benzamide
SMILESO=C(N[C@H](C(=O)Nc1ccc(NO)cc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H18FN3O3/c22-16-8-6-15(7-9-16)20(26)24-19(14-4-2-1-3-5-14)21(27)23-17-10-12-18(25-28)13-11-17/h1-13,19,25,28H,(H,23,27)(H,24,26)/t19-/m0/s1
InChIKeyMHQNQIJWOQFFIV-IBGZPJMESA-N
XLogP3.74
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.74
H-Bond Donors ≤ 54
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-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]benzamide
CID 15658553
4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286605
2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
(2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-2-phenylacetamide
CID 71455830
3-bromo-N-[(1S)-2-[4-(hydroxycarbamoyl)anilino]-2-oxo-1-phenylethyl]benzamide
CID 171346842
N-(2-anilino-2-oxo-1-phenylethyl)-4-ethylbenzamide
CID 55726687
N-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide
CID 55455707
N-(2-anilino-2-oxo-1-phenylethyl)-4-(dimethylsulfamoyl)benzamide
CID 55779161
N-(2-anilino-2-oxo-1-phenylethyl)-3-(4-fluorophenyl)propanamide
CID 55779002
N-(2-anilino-2-oxo-1-phenylethyl)-4-(diethylaminomethyl)benzamide
CID 55779074
4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813381

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1S)-2-[4-(hydroxyamino)anilino]-2-oxo-1-phenylethyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1S)-2-[4-(hydroxyamino)anilino]-2-oxo-1-phenylethyl]benzamide (CID 72705119) is 4-fluoro-N-[(1S)-2-[4-(hydroxyamino)anilino]-2-oxo-1-phenylethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1S)-2-[4-(hydroxyamino)anilino]-2-oxo-1-phenylethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1S)-2-[4-(hydroxyamino)anilino]-2-oxo-1-phenylethyl]benzamide is O=C(N[C@H](C(=O)Nc1ccc(NO)cc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(1S)-2-[4-(hydroxyamino)anilino]-2-oxo-1-phenylethyl]benzamide?
The InChIKey is MHQNQIJWOQFFIV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H18FN3O3/c22-16-8-6-15(7-9-16)20(26)24-19(14-4-2-1-3-5-14)21(27)23-17-10-12-18(25-28)13-11-17/h1-13,19,25,28H,(H,23,27)(H,24,26)/t19-/m0/s1.
What are the key properties of 4-fluoro-N-[(1S)-2-[4-(hydroxyamino)anilino]-2-oxo-1-phenylethyl]benzamide?
4-fluoro-N-[(1S)-2-[4-(hydroxyamino)anilino]-2-oxo-1-phenylethyl]benzamide has a molecular weight of 379.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1S)-2-[4-(hydroxyamino)anilino]-2-oxo-1-phenylethyl]benzamide is sourced from PubChem (CID 72705119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).