4-fluoro-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide

C20H29FN2O2 — CID 27886797

IUPAC4-fluoro-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide
SMILESCCC(C)(C)C1CCC(NC(=O)CNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H29FN2O2/c1-4-20(2,3)15-7-11-17(12-8-15)23-18(24)13-22-19(25)14-5-9-16(21)10-6-14/h5-6,9-10,15,17H,4,7-8,11-13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyHMVJLIRCIQCZTE-UHFFFAOYSA-N
MW348.46 g/mol
LogP3.67
Rot. Bonds6

About 4-fluoro-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide

4-fluoro-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide (PubChem CID 27886797) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 4-fluoro-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide
PubChem CID27886797
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name4-fluoro-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide
SMILESCCC(C)(C)C1CCC(NC(=O)CNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H29FN2O2/c1-4-20(2,3)15-7-11-17(12-8-15)23-18(24)13-22-19(25)14-5-9-16(21)10-6-14/h5-6,9-10,15,17H,4,7-8,11-13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyHMVJLIRCIQCZTE-UHFFFAOYSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide
CID 33295122
4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide
CID 110877644
N-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 40789873
N-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 119389396
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 24692664
2-(5-acetyl-2-methoxyphenyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 18117011
4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 24982875
N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide
CID 63184835
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)benzamide
CID 62168218
2,4-difluoro-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 46536013
3-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 60867060

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide (CID 27886797) is 4-fluoro-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide is CCC(C)(C)C1CCC(NC(=O)CNC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide?
The InChIKey is HMVJLIRCIQCZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-4-20(2,3)15-7-11-17(12-8-15)23-18(24)13-22-19(25)14-5-9-16(21)10-6-14/h5-6,9-10,15,17H,4,7-8,11-13H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 4-fluoro-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide?
4-fluoro-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide has a molecular weight of 348.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 27886797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).