2-amino-N-(3-ethylphenyl)-2-methylpropanamide;1-chloro-3-fluoro-5-methylbenzene

C19H24ClFN2O — CID 174358715

IUPAC2-amino-N-(3-ethylphenyl)-2-methylpropanamide;1-chloro-3-fluoro-5-methylbenzene
SMILESCCc1cccc(NC(=O)C(C)(C)N)c1.Cc1cc(F)cc(Cl)c1
InChIInChI=1S/C12H18N2O.C7H6ClF/c1-4-9-6-5-7-10(8-9)14-11(15)12(2,3)13;1-5-2-6(8)4-7(9)3-5/h5-8H,4,13H2,1-3H3,(H,14,15);2-4H,1H3
InChIKeyNJYWCNMQPBTKFF-UHFFFAOYSA-N
MW350.87 g/mol
LogP4.71
Rot. Bonds3

About 2-amino-N-(3-ethylphenyl)-2-methylpropanamide;1-chloro-3-fluoro-5-methylbenzene

2-amino-N-(3-ethylphenyl)-2-methylpropanamide;1-chloro-3-fluoro-5-methylbenzene (PubChem CID 174358715) has the molecular formula C19H24ClFN2O and a molecular weight of 350.87 g/mol. Its IUPAC name is 2-amino-N-(3-ethylphenyl)-2-methylpropanamide;1-chloro-3-fluoro-5-methylbenzene.

Molecular Properties

Compound Name2-amino-N-(3-ethylphenyl)-2-methylpropanamide;1-chloro-3-fluoro-5-methylbenzene
PubChem CID174358715
Molecular FormulaC19H24ClFN2O
Molecular Weight350.87 g/mol
Exact Mass350.16
IUPAC Name2-amino-N-(3-ethylphenyl)-2-methylpropanamide;1-chloro-3-fluoro-5-methylbenzene
SMILESCCc1cccc(NC(=O)C(C)(C)N)c1.Cc1cc(F)cc(Cl)c1
InChIInChI=1S/C12H18N2O.C7H6ClF/c1-4-9-6-5-7-10(8-9)14-11(15)12(2,3)13;1-5-2-6(8)4-7(9)3-5/h5-8H,4,13H2,1-3H3,(H,14,15);2-4H,1H3
InChIKeyNJYWCNMQPBTKFF-UHFFFAOYSA-N
XLogP4.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(3-ethylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79796687
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide
CID 112799800
2-amino-N-(3-chlorophenyl)-2-ethylbutanamide
CID 79809226
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
N-[3-(aminomethyl)phenyl]-3-fluoro-5-methylbenzamide
CID 112701135
2-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide
CID 119883845
N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide
CID 80718870
2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 669985
2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 82110089
N-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967452
3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide
CID 65264450

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethylphenyl)-2-methylpropanamide;1-chloro-3-fluoro-5-methylbenzene?
The IUPAC name of 2-amino-N-(3-ethylphenyl)-2-methylpropanamide;1-chloro-3-fluoro-5-methylbenzene (CID 174358715) is 2-amino-N-(3-ethylphenyl)-2-methylpropanamide;1-chloro-3-fluoro-5-methylbenzene.
What is the SMILES notation for 2-amino-N-(3-ethylphenyl)-2-methylpropanamide;1-chloro-3-fluoro-5-methylbenzene?
The canonical SMILES for 2-amino-N-(3-ethylphenyl)-2-methylpropanamide;1-chloro-3-fluoro-5-methylbenzene is CCc1cccc(NC(=O)C(C)(C)N)c1.Cc1cc(F)cc(Cl)c1.
What is the InChIKey of 2-amino-N-(3-ethylphenyl)-2-methylpropanamide;1-chloro-3-fluoro-5-methylbenzene?
The InChIKey is NJYWCNMQPBTKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.C7H6ClF/c1-4-9-6-5-7-10(8-9)14-11(15)12(2,3)13;1-5-2-6(8)4-7(9)3-5/h5-8H,4,13H2,1-3H3,(H,14,15);2-4H,1H3.
What are the key properties of 2-amino-N-(3-ethylphenyl)-2-methylpropanamide;1-chloro-3-fluoro-5-methylbenzene?
2-amino-N-(3-ethylphenyl)-2-methylpropanamide;1-chloro-3-fluoro-5-methylbenzene has a molecular weight of 350.87 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethylphenyl)-2-methylpropanamide;1-chloro-3-fluoro-5-methylbenzene is sourced from PubChem (CID 174358715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).