3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide

C14H21FN2O — CID 65264934

IUPAC3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide
SMILESCc1ccc(NC(=O)C(C)(C)C(C)(C)N)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-9-6-7-11(10(15)8-9)17-12(18)13(2,3)14(4,5)16/h6-8H,16H2,1-5H3,(H,17,18)
InChIKeyVZAVZVMTEQZDLQ-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.84
Rot. Bonds3

About 3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide

3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide (PubChem CID 65264934) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide
PubChem CID65264934
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide
SMILESCc1ccc(NC(=O)C(C)(C)C(C)(C)N)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-9-6-7-11(10(15)8-9)17-12(18)13(2,3)14(4,5)16/h6-8H,16H2,1-5H3,(H,17,18)
InChIKeyVZAVZVMTEQZDLQ-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
N-(2-fluoro-4-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62835057
2,2,3,3,3-pentafluoro-N-(2-fluoro-4-methylphenyl)propanamide
CID 114038112
(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide
CID 61148813
3-amino-N-(2-chloro-4-fluorophenyl)-2,2,3-trimethylbutanamide
CID 65264639
3-(2-fluoro-4-methylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643855
4-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-methylbenzamide
CID 65264856
1-amino-3-(2-fluoro-4-methylphenyl)thiourea
CID 28934803
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
2-(2-fluoro-4-methylanilino)-2-methylpropanoic acid
CID 82236350
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
2,3-difluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 62648850

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide (CID 65264934) is 3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide is Cc1ccc(NC(=O)C(C)(C)C(C)(C)N)c(F)c1.
What is the InChIKey of 3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide?
The InChIKey is VZAVZVMTEQZDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9-6-7-11(10(15)8-9)17-12(18)13(2,3)14(4,5)16/h6-8H,16H2,1-5H3,(H,17,18).
What are the key properties of 3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide?
3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide has a molecular weight of 252.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65264934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).