2-[2-amino-3-(4-fluorobenzoyl)-5-methylphenyl]acetamide

C16H15FN2O2 — CID 13394303

IUPAC2-[2-amino-3-(4-fluorobenzoyl)-5-methylphenyl]acetamide
SMILESCc1cc(CC(N)=O)c(N)c(C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H15FN2O2/c1-9-6-11(8-14(18)20)15(19)13(7-9)16(21)10-2-4-12(17)5-3-10/h2-7H,8,19H2,1H3,(H2,18,20)
InChIKeyDDPTZAIEAWZIAZ-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.98
Rot. Bonds4

About 2-[2-amino-3-(4-fluorobenzoyl)-5-methylphenyl]acetamide

2-[2-amino-3-(4-fluorobenzoyl)-5-methylphenyl]acetamide (PubChem CID 13394303) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[2-amino-3-(4-fluorobenzoyl)-5-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[2-amino-3-(4-fluorobenzoyl)-5-methylphenyl]acetamide
PubChem CID13394303
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-[2-amino-3-(4-fluorobenzoyl)-5-methylphenyl]acetamide
SMILESCc1cc(CC(N)=O)c(N)c(C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H15FN2O2/c1-9-6-11(8-14(18)20)15(19)13(7-9)16(21)10-2-4-12(17)5-3-10/h2-7H,8,19H2,1H3,(H2,18,20)
InChIKeyDDPTZAIEAWZIAZ-UHFFFAOYSA-N
XLogP1.98
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Nepafenac
CID 151075
2-Aminobenzophenone
CID 76080
2-Amino-5-methylbenzophenone
CID 87335
(2-Amino-5-fluorophenyl)(phenyl)methanone
CID 778082
2-Amino-4'-methylbenzophenone m
CID 118923
N-(2-benzoyl-4-methylphenyl)methanesulfonamide
CID 977278
1-(2-Aminophenyl)-3-phenylprop-2-en-1-one
CID 5965183
(2E)-3-(4-aminophenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 44592181
2-Amino-4'-fluorobenzophenone
CID 9837287
2-Amino-5-phenylbenzamide
CID 11600944
2-Amino-5-(4-fluorophenyl)benzamide
CID 25190922
2-(3-fluorophenyl)-6-methyl-1H-quinolin-4-one
CID 9547812

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-(4-fluorobenzoyl)-5-methylphenyl]acetamide?
The IUPAC name of 2-[2-amino-3-(4-fluorobenzoyl)-5-methylphenyl]acetamide (CID 13394303) is 2-[2-amino-3-(4-fluorobenzoyl)-5-methylphenyl]acetamide.
What is the SMILES notation for 2-[2-amino-3-(4-fluorobenzoyl)-5-methylphenyl]acetamide?
The canonical SMILES for 2-[2-amino-3-(4-fluorobenzoyl)-5-methylphenyl]acetamide is Cc1cc(CC(N)=O)c(N)c(C(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-[2-amino-3-(4-fluorobenzoyl)-5-methylphenyl]acetamide?
The InChIKey is DDPTZAIEAWZIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-9-6-11(8-14(18)20)15(19)13(7-9)16(21)10-2-4-12(17)5-3-10/h2-7H,8,19H2,1H3,(H2,18,20).
What are the key properties of 2-[2-amino-3-(4-fluorobenzoyl)-5-methylphenyl]acetamide?
2-[2-amino-3-(4-fluorobenzoyl)-5-methylphenyl]acetamide has a molecular weight of 286.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-(4-fluorobenzoyl)-5-methylphenyl]acetamide is sourced from PubChem (CID 13394303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).