N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]cyclohexanecarboxamide

C17H23FN2O2 — CID 50875684

IUPACN-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]cyclohexanecarboxamide
SMILESCc1ccc(F)cc1NC(=O)C(C)NC(=O)C1CCCCC1
InChIInChI=1S/C17H23FN2O2/c1-11-8-9-14(18)10-15(11)20-16(21)12(2)19-17(22)13-6-4-3-5-7-13/h8-10,12-13H,3-7H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyNKGVLAPGCYTPSG-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.16
Rot. Bonds4

About N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]cyclohexanecarboxamide

N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]cyclohexanecarboxamide (PubChem CID 50875684) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]cyclohexanecarboxamide
PubChem CID50875684
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]cyclohexanecarboxamide
SMILESCc1ccc(F)cc1NC(=O)C(C)NC(=O)C1CCCCC1
InChIInChI=1S/C17H23FN2O2/c1-11-8-9-14(18)10-15(11)20-16(21)12(2)19-17(22)13-6-4-3-5-7-13/h8-10,12-13H,3-7H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyNKGVLAPGCYTPSG-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42939047
N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94194364
2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 51604994
3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782434
N-[(2R)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 95131416
(2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119674019
N-(5-amino-2-methylphenyl)-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
CID 120569096
1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904101
N-(5-fluoro-2-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013638
N-(2-acetamido-5-fluorophenyl)cyclohexanecarboxamide
CID 113092924
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
CID 17069288

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]cyclohexanecarboxamide (CID 50875684) is N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]cyclohexanecarboxamide is Cc1ccc(F)cc1NC(=O)C(C)NC(=O)C1CCCCC1.
What is the InChIKey of N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]cyclohexanecarboxamide?
The InChIKey is NKGVLAPGCYTPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-11-8-9-14(18)10-15(11)20-16(21)12(2)19-17(22)13-6-4-3-5-7-13/h8-10,12-13H,3-7H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]cyclohexanecarboxamide?
N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]cyclohexanecarboxamide has a molecular weight of 306.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 50875684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).