N-[(1R)-1-cyclohexylethyl]-4-[(4-fluorobenzoyl)amino]-N-methylbenzamide

C23H27FN2O2 — CID 58708194

IUPACN-[(1R)-1-cyclohexylethyl]-4-[(4-fluorobenzoyl)amino]-N-methylbenzamide
SMILESC[C@H](C1CCCCC1)N(C)C(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H27FN2O2/c1-16(17-6-4-3-5-7-17)26(2)23(28)19-10-14-21(15-11-19)25-22(27)18-8-12-20(24)13-9-18/h8-17H,3-7H2,1-2H3,(H,25,27)/t16-/m1/s1
InChIKeyUFBMYVPISVLEHC-MRXNPFEDSA-N
MW382.48 g/mol
LogP5.12
Rot. Bonds5

About N-[(1R)-1-cyclohexylethyl]-4-[(4-fluorobenzoyl)amino]-N-methylbenzamide

N-[(1R)-1-cyclohexylethyl]-4-[(4-fluorobenzoyl)amino]-N-methylbenzamide (PubChem CID 58708194) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-4-[(4-fluorobenzoyl)amino]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-4-[(4-fluorobenzoyl)amino]-N-methylbenzamide
PubChem CID58708194
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC NameN-[(1R)-1-cyclohexylethyl]-4-[(4-fluorobenzoyl)amino]-N-methylbenzamide
SMILESC[C@H](C1CCCCC1)N(C)C(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H27FN2O2/c1-16(17-6-4-3-5-7-17)26(2)23(28)19-10-14-21(15-11-19)25-22(27)18-8-12-20(24)13-9-18/h8-17H,3-7H2,1-2H3,(H,25,27)/t16-/m1/s1
InChIKeyUFBMYVPISVLEHC-MRXNPFEDSA-N
XLogP5.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[cyclopentyl(methyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 7656086
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
cyclohexyl (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate
CID 7695414
cyclohexyl (2R)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate
CID 7695417
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109044795
N-[4-[1-[[(2S,3R)-3-(cyclopentylamino)-2-hydroxybutanoyl]amino]ethyl]phenyl]-4-fluorobenzamide
CID 146094037
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
N'-benzoyl-N'-(1-cyclohexylethyl)benzohydrazide
CID 139683591
4-(1-cyclohexylethylamino)-N-methylbenzamide
CID 43781056
3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide
CID 43568628

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-4-[(4-fluorobenzoyl)amino]-N-methylbenzamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-4-[(4-fluorobenzoyl)amino]-N-methylbenzamide (CID 58708194) is N-[(1R)-1-cyclohexylethyl]-4-[(4-fluorobenzoyl)amino]-N-methylbenzamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-4-[(4-fluorobenzoyl)amino]-N-methylbenzamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-4-[(4-fluorobenzoyl)amino]-N-methylbenzamide is C[C@H](C1CCCCC1)N(C)C(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-4-[(4-fluorobenzoyl)amino]-N-methylbenzamide?
The InChIKey is UFBMYVPISVLEHC-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-16(17-6-4-3-5-7-17)26(2)23(28)19-10-14-21(15-11-19)25-22(27)18-8-12-20(24)13-9-18/h8-17H,3-7H2,1-2H3,(H,25,27)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-4-[(4-fluorobenzoyl)amino]-N-methylbenzamide?
N-[(1R)-1-cyclohexylethyl]-4-[(4-fluorobenzoyl)amino]-N-methylbenzamide has a molecular weight of 382.48 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-4-[(4-fluorobenzoyl)amino]-N-methylbenzamide is sourced from PubChem (CID 58708194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).