N-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzamide

C12H16F2N2O — CID 112701308

IUPACN-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzamide
SMILESCc1cc(C(=O)NC(C)(C)CN)c(F)cc1F
InChIInChI=1S/C12H16F2N2O/c1-7-4-8(10(14)5-9(7)13)11(17)16-12(2,3)6-15/h4-5H,6,15H2,1-3H3,(H,16,17)
InChIKeyOTBOYESNHJPZSK-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.74
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzamide

N-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzamide (PubChem CID 112701308) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzamide
PubChem CID112701308
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzamide
SMILESCc1cc(C(=O)NC(C)(C)CN)c(F)cc1F
InChIInChI=1S/C12H16F2N2O/c1-7-4-8(10(14)5-9(7)13)11(17)16-12(2,3)6-15/h4-5H,6,15H2,1-3H3,(H,16,17)
InChIKeyOTBOYESNHJPZSK-UHFFFAOYSA-N
XLogP1.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methylphenyl)benzamide;hydrochloride
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2,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylbenzamide
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N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzamide;hydrochloride
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N-(1-amino-2-methylpropan-2-yl)-2-methyl-5-methylsulfanylbenzamide
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2,4-difluoro-N-methoxy-5-methylbenzamide
CID 23394047
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
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N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride
CID 119523732
N-(1-amino-2-methylpropan-2-yl)-2,5-difluoro-4-methylbenzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzamide (CID 112701308) is N-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzamide is Cc1cc(C(=O)NC(C)(C)CN)c(F)cc1F.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzamide?
The InChIKey is OTBOYESNHJPZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-7-4-8(10(14)5-9(7)13)11(17)16-12(2,3)6-15/h4-5H,6,15H2,1-3H3,(H,16,17).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzamide?
N-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzamide has a molecular weight of 242.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzamide is sourced from PubChem (CID 112701308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).