2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

C14H19FN2O2 — CID 112696705

IUPAC2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
SMILESCc1ccc(C(=O)NCCC(=O)NC(C)C)c(F)c1
InChIInChI=1S/C14H19FN2O2/c1-9(2)17-13(18)6-7-16-14(19)11-5-4-10(3)8-12(11)15/h4-5,8-9H,6-7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyRISLIEWLVCOKPW-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.78
Rot. Bonds5

About 2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide (PubChem CID 112696705) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
PubChem CID112696705
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
SMILESCc1ccc(C(=O)NCCC(=O)NC(C)C)c(F)c1
InChIInChI=1S/C14H19FN2O2/c1-9(2)17-13(18)6-7-16-14(19)11-5-4-10(3)8-12(11)15/h4-5,8-9H,6-7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyRISLIEWLVCOKPW-UHFFFAOYSA-N
XLogP1.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide
CID 46586720
3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide
CID 62623781
3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 115646316
2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide
CID 43039090
2-fluoro-4-methyl-N-(5-methylhexyl)benzamide
CID 79790982
1-(2-fluoro-4-methylphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]triazole-4-carboxamide
CID 171132687
2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299876
2-bromo-4-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 113257280
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659559
2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 113345159
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
CID 113251010

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The IUPAC name of 2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide (CID 112696705) is 2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The canonical SMILES for 2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide is Cc1ccc(C(=O)NCCC(=O)NC(C)C)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The InChIKey is RISLIEWLVCOKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9(2)17-13(18)6-7-16-14(19)11-5-4-10(3)8-12(11)15/h4-5,8-9H,6-7H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide has a molecular weight of 266.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide is sourced from PubChem (CID 112696705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).