4-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylanilino)-2-oxoethyl]-3-fluoro-N-hydroxybenzamide

C24H28FN3O4 — CID 171713876

IUPAC4-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylanilino)-2-oxoethyl]-3-fluoro-N-hydroxybenzamide
SMILESCc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)Cc1ccc(C(=O)NO)cc1F
InChIInChI=1S/C24H28FN3O4/c1-16-7-5-6-10-21(16)28(15-22(29)26-19-8-3-2-4-9-19)23(30)14-17-11-12-18(13-20(17)25)24(31)27-32/h5-7,10-13,19,32H,2-4,8-9,14-15H2,1H3,(H,26,29)(H,27,31)
InChIKeyOVOYFFMFJBJCRU-UHFFFAOYSA-N
MW441.50 g/mol
LogP3.28
Rot. Bonds7

About 4-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylanilino)-2-oxoethyl]-3-fluoro-N-hydroxybenzamide

4-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylanilino)-2-oxoethyl]-3-fluoro-N-hydroxybenzamide (PubChem CID 171713876) has the molecular formula C24H28FN3O4 and a molecular weight of 441.50 g/mol. Its IUPAC name is 4-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylanilino)-2-oxoethyl]-3-fluoro-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylanilino)-2-oxoethyl]-3-fluoro-N-hydroxybenzamide
PubChem CID171713876
Molecular FormulaC24H28FN3O4
Molecular Weight441.50 g/mol
Exact Mass441.21
IUPAC Name4-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylanilino)-2-oxoethyl]-3-fluoro-N-hydroxybenzamide
SMILESCc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)Cc1ccc(C(=O)NO)cc1F
InChIInChI=1S/C24H28FN3O4/c1-16-7-5-6-10-21(16)28(15-22(29)26-19-8-3-2-4-9-19)23(30)14-17-11-12-18(13-20(17)25)24(31)27-32/h5-7,10-13,19,32H,2-4,8-9,14-15H2,1H3,(H,26,29)(H,27,31)
InChIKeyOVOYFFMFJBJCRU-UHFFFAOYSA-N
XLogP3.28
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 3228296
4-[[[2-(cyclohexylamino)-2-oxoethyl]-(2-phenylacetyl)amino]methyl]-N-hydroxybenzamide
CID 164613299
2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide
CID 113168893
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 3767268
2-(N-acetyl-2,6-dimethylanilino)-N-cyclohexylacetamide
CID 113168633
2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide
CID 113181443
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 1153924
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 3179749
N-[2-(cyclopentylamino)-2-oxoethyl]-2-methylbenzamide
CID 18106161
N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide
CID 9082220
2-(N-acetyl-2-tert-butylanilino)-N-cycloheptylacetamide
CID 113170454
2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide
CID 113179225

Frequently Asked Questions

What is the IUPAC name of 4-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylanilino)-2-oxoethyl]-3-fluoro-N-hydroxybenzamide?
The IUPAC name of 4-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylanilino)-2-oxoethyl]-3-fluoro-N-hydroxybenzamide (CID 171713876) is 4-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylanilino)-2-oxoethyl]-3-fluoro-N-hydroxybenzamide.
What is the SMILES notation for 4-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylanilino)-2-oxoethyl]-3-fluoro-N-hydroxybenzamide?
The canonical SMILES for 4-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylanilino)-2-oxoethyl]-3-fluoro-N-hydroxybenzamide is Cc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)Cc1ccc(C(=O)NO)cc1F.
What is the InChIKey of 4-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylanilino)-2-oxoethyl]-3-fluoro-N-hydroxybenzamide?
The InChIKey is OVOYFFMFJBJCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O4/c1-16-7-5-6-10-21(16)28(15-22(29)26-19-8-3-2-4-9-19)23(30)14-17-11-12-18(13-20(17)25)24(31)27-32/h5-7,10-13,19,32H,2-4,8-9,14-15H2,1H3,(H,26,29)(H,27,31).
What are the key properties of 4-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylanilino)-2-oxoethyl]-3-fluoro-N-hydroxybenzamide?
4-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylanilino)-2-oxoethyl]-3-fluoro-N-hydroxybenzamide has a molecular weight of 441.50 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylanilino)-2-oxoethyl]-3-fluoro-N-hydroxybenzamide is sourced from PubChem (CID 171713876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).