N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide

C16H20FNO2 — CID 94285899

IUPACN-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1cc(C(=O)CNC(=O)C2CCCCC2)ccc1F
InChIInChI=1S/C16H20FNO2/c1-11-9-13(7-8-14(11)17)15(19)10-18-16(20)12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,18,20)
InChIKeyOBXZWHNFRVWJPL-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.01
Rot. Bonds4

About N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide

N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 94285899) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide
PubChem CID94285899
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC NameN-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1cc(C(=O)CNC(=O)C2CCCCC2)ccc1F
InChIInChI=1S/C16H20FNO2/c1-11-9-13(7-8-14(11)17)15(19)10-18-16(20)12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,18,20)
InChIKeyOBXZWHNFRVWJPL-UHFFFAOYSA-N
XLogP3.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclopentanecarboxamide
CID 82122155
2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82116606
cycloheptyl-(4-fluoro-3-methylphenyl)methanone
CID 65399772
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
CID 55096170
N-phenacylcyclohexanecarboxamide
CID 54070217
1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone
CID 82075088
N-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 82114443
3-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one
CID 94268189
N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
CID 55163457
4-[[2-(cyclohexanecarbonylamino)acetyl]amino]-3-methylbenzoate
CID 6957790
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone
CID 110366432
N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481326

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide (CID 94285899) is N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide is Cc1cc(C(=O)CNC(=O)C2CCCCC2)ccc1F.
What is the InChIKey of N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is OBXZWHNFRVWJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-11-9-13(7-8-14(11)17)15(19)10-18-16(20)12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide?
N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 277.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 94285899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).