N-[2-(cyclohexylamino)-2-oxoethyl]-2-fluoro-5-phenylbenzamide

C21H23FN2O2 — CID 110625209

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-2-fluoro-5-phenylbenzamide
SMILESO=C(CNC(=O)c1cc(-c2ccccc2)ccc1F)NC1CCCCC1
InChIInChI=1S/C21H23FN2O2/c22-19-12-11-16(15-7-3-1-4-8-15)13-18(19)21(26)23-14-20(25)24-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14H2,(H,23,26)(H,24,25)
InChIKeyZXDICYWHUAMFGK-UHFFFAOYSA-N
MW354.42 g/mol
LogP3.67
Rot. Bonds5

About N-[2-(cyclohexylamino)-2-oxoethyl]-2-fluoro-5-phenylbenzamide

N-[2-(cyclohexylamino)-2-oxoethyl]-2-fluoro-5-phenylbenzamide (PubChem CID 110625209) has the molecular formula C21H23FN2O2 and a molecular weight of 354.42 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-2-fluoro-5-phenylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-2-fluoro-5-phenylbenzamide
PubChem CID110625209
Molecular FormulaC21H23FN2O2
Molecular Weight354.42 g/mol
Exact Mass354.17
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-2-fluoro-5-phenylbenzamide
SMILESO=C(CNC(=O)c1cc(-c2ccccc2)ccc1F)NC1CCCCC1
InChIInChI=1S/C21H23FN2O2/c22-19-12-11-16(15-7-3-1-4-8-15)13-18(19)21(26)23-14-20(25)24-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14H2,(H,23,26)(H,24,25)
InChIKeyZXDICYWHUAMFGK-UHFFFAOYSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclopentylamino)-2-oxoethyl]-4-phenylbenzamide
CID 18129640
2-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide
CID 4788216
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966
N-[2-(cyclopentylamino)-2-oxoethyl]-2-methylbenzamide
CID 18106161
3-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluorobenzamide
CID 110625264
N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 2534255
N-[2-(cyclohexylamino)-2-oxoethyl]-2-(difluoromethoxy)-4-fluorobenzamide
CID 71977709
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluoro-5-phenylbenzamide
CID 110606102
N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide
CID 1250894
N-cyclooctyl-2-[(2-phenoxyacetyl)amino]acetamide
CID 24635122
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-2-fluoro-5-phenylbenzamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-2-fluoro-5-phenylbenzamide (CID 110625209) is N-[2-(cyclohexylamino)-2-oxoethyl]-2-fluoro-5-phenylbenzamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-2-fluoro-5-phenylbenzamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-2-fluoro-5-phenylbenzamide is O=C(CNC(=O)c1cc(-c2ccccc2)ccc1F)NC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-2-fluoro-5-phenylbenzamide?
The InChIKey is ZXDICYWHUAMFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-19-12-11-16(15-7-3-1-4-8-15)13-18(19)21(26)23-14-20(25)24-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14H2,(H,23,26)(H,24,25).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-2-fluoro-5-phenylbenzamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-2-fluoro-5-phenylbenzamide has a molecular weight of 354.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-2-fluoro-5-phenylbenzamide is sourced from PubChem (CID 110625209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).