N-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide

C16H17FN2O — CID 62099099

IUPACN-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide
SMILESCc1cc(N)c(NC(=O)Cc2ccc(F)cc2)cc1C
InChIInChI=1S/C16H17FN2O/c1-10-7-14(18)15(8-11(10)2)19-16(20)9-12-3-5-13(17)6-4-12/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyHARATPZPSYIOSH-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.21
Rot. Bonds3

About N-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide

N-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide (PubChem CID 62099099) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide
PubChem CID62099099
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide
SMILESCc1cc(N)c(NC(=O)Cc2ccc(F)cc2)cc1C
InChIInChI=1S/C16H17FN2O/c1-10-7-14(18)15(8-11(10)2)19-16(20)9-12-3-5-13(17)6-4-12/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyHARATPZPSYIOSH-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,5-dimethylphenyl)-2-(3-bromophenyl)acetamide
CID 62097923
N-(2-amino-4,5-dimethylphenyl)propanamide
CID 28691521
N-(5-chloro-2-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 808427
N-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide
CID 55148535
N-(5-amino-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 16789035
N-(2-amino-4,5-dimethylphenyl)-2,5-difluorobenzamide
CID 62100127
N-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide
CID 28691585
N-(2-amino-4,5-dimethylphenyl)-3-methylbutanamide
CID 28691546
4-amino-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid
CID 63116313
N-(2-amino-4,5-dimethylphenyl)-3,5-difluorobenzamide
CID 62098085
2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 797745
N-(4-fluoro-2-methylphenyl)-2-(4-methoxyphenyl)acetamide
CID 2676308

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide (CID 62099099) is N-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide is Cc1cc(N)c(NC(=O)Cc2ccc(F)cc2)cc1C.
What is the InChIKey of N-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide?
The InChIKey is HARATPZPSYIOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-10-7-14(18)15(8-11(10)2)19-16(20)9-12-3-5-13(17)6-4-12/h3-8H,9,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide?
N-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide has a molecular weight of 272.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 62099099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).