N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide

C16H15FN2O2 — CID 9211846

IUPACN-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide
SMILESCc1ccc(F)cc1NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C16H15FN2O2/c1-11-7-8-13(17)9-14(11)19-15(20)10-18-16(21)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyCIFBTHGRZHSNRK-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.50
Rot. Bonds4

About N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide

N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide (PubChem CID 9211846) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide
PubChem CID9211846
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC NameN-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide
SMILESCc1ccc(F)cc1NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C16H15FN2O2/c1-11-7-8-13(17)9-14(11)19-15(20)10-18-16(21)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyCIFBTHGRZHSNRK-UHFFFAOYSA-N
XLogP2.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide
CID 9211763
N-[2-(5-benzamido-2-methylanilino)-2-oxoethyl]benzamide
CID 60518009
N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 2501507
tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate
CID 47451260
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9165041
N-[4-(2,5-difluoroanilino)-4-oxobutyl]benzamide
CID 39753880
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-4-phenoxybenzamide
CID 9165071
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
N-[2-(2,3-difluoroanilino)-2-oxoethyl]benzamide
CID 155977265
2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 2604241
2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49277168
3-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 34231408

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide (CID 9211846) is N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide is Cc1ccc(F)cc1NC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is CIFBTHGRZHSNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-11-7-8-13(17)9-14(11)19-15(20)10-18-16(21)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide?
N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 286.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9211846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).