6-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide

C22H21F4N3O5 — CID 74374698

IUPAC6-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
SMILESO=C(CCCCCNC(=O)C(=Cc1ccc(F)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1)NO
InChIInChI=1S/C22H21F4N3O5/c23-19-10-5-14(13-18(19)22(24,25)26)12-17(15-6-8-16(9-7-15)29(33)34)21(31)27-11-3-1-2-4-20(30)28-32/h5-10,12-13,32H,1-4,11H2,(H,27,31)(H,28,30)
InChIKeyOLRBDPBXEWFUDG-UHFFFAOYSA-N
MW483.42 g/mol
LogP4.48
Rot. Bonds10

About 6-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide

6-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide (PubChem CID 74374698) has the molecular formula C22H21F4N3O5 and a molecular weight of 483.42 g/mol. Its IUPAC name is 6-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
PubChem CID74374698
Molecular FormulaC22H21F4N3O5
Molecular Weight483.42 g/mol
Exact Mass483.14
IUPAC Name6-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
SMILESO=C(CCCCCNC(=O)C(=Cc1ccc(F)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1)NO
InChIInChI=1S/C22H21F4N3O5/c23-19-10-5-14(13-18(19)22(24,25)26)12-17(15-6-8-16(9-7-15)29(33)34)21(31)27-11-3-1-2-4-20(30)28-32/h5-10,12-13,32H,1-4,11H2,(H,27,31)(H,28,30)
InChIKeyOLRBDPBXEWFUDG-UHFFFAOYSA-N
XLogP4.48
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.42
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[[3-(3,4-difluorophenyl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
CID 74374695
6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
CID 140553192
ethane;(Z)-N-hexyl-3-(4-methylsulfanylphenyl)-2-(4-nitrophenyl)prop-2-enamide;N-hydroxyformamide
CID 143455005
N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]-4-nitrobenzamide
CID 46890621
(E)-3-(4-nitrophenyl)-N-octyl-2-phenylprop-2-enamide
CID 13036252
6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]carbamoylamino]-N-hydroxyhexanamide
CID 140553182
6-[[(Z)-3-(3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
CID 24963120
6-[[3-(5-chlorofuran-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
CID 74374708
6-[[(E)-3-(5-chlorofuran-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
CID 87243711
6-[[(E)-3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
CID 87243849
N-hydroxy-5-(4-nitrophenyl)pentanamide
CID 142619075
N-[7-(hydroxyamino)-7-oxoheptyl]-4-[[5-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]methyl]benzamide
CID 171482053

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide?
The IUPAC name of 6-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide (CID 74374698) is 6-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide?
The canonical SMILES for 6-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide is O=C(CCCCCNC(=O)C(=Cc1ccc(F)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1)NO.
What is the InChIKey of 6-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide?
The InChIKey is OLRBDPBXEWFUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N3O5/c23-19-10-5-14(13-18(19)22(24,25)26)12-17(15-6-8-16(9-7-15)29(33)34)21(31)27-11-3-1-2-4-20(30)28-32/h5-10,12-13,32H,1-4,11H2,(H,27,31)(H,28,30).
What are the key properties of 6-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide?
6-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide has a molecular weight of 483.42 g/mol, XLogP of 4.48, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide is sourced from PubChem (CID 74374698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).