N-(5-amino-2,4-difluorophenyl)-4-propan-2-ylbenzamide

C16H16F2N2O — CID 43549828

IUPACN-(5-amino-2,4-difluorophenyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2cc(N)c(F)cc2F)cc1
InChIInChI=1S/C16H16F2N2O/c1-9(2)10-3-5-11(6-4-10)16(21)20-15-8-14(19)12(17)7-13(15)18/h3-9H,19H2,1-2H3,(H,20,21)
InChIKeyXHHXQHJYKJHKDC-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.92
Rot. Bonds3

About N-(5-amino-2,4-difluorophenyl)-4-propan-2-ylbenzamide

N-(5-amino-2,4-difluorophenyl)-4-propan-2-ylbenzamide (PubChem CID 43549828) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is N-(5-amino-2,4-difluorophenyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(5-amino-2,4-difluorophenyl)-4-propan-2-ylbenzamide
PubChem CID43549828
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC NameN-(5-amino-2,4-difluorophenyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2cc(N)c(F)cc2F)cc1
InChIInChI=1S/C16H16F2N2O/c1-9(2)10-3-5-11(6-4-10)16(21)20-15-8-14(19)12(17)7-13(15)18/h3-9H,19H2,1-2H3,(H,20,21)
InChIKeyXHHXQHJYKJHKDC-UHFFFAOYSA-N
XLogP3.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.92
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-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide
CID 18072371
N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide
CID 43549901
N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide
CID 103144350
3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 62814302
N-(5-amino-2,4-difluorophenyl)-3-hydroxybenzamide
CID 43549881
N-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732681
N-(5-amino-2,4-difluorophenyl)-3-bromo-4-methoxybenzamide
CID 61033191
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746
4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 62680801
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide
CID 43549842
5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45433715

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-difluorophenyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(5-amino-2,4-difluorophenyl)-4-propan-2-ylbenzamide (CID 43549828) is N-(5-amino-2,4-difluorophenyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(5-amino-2,4-difluorophenyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(5-amino-2,4-difluorophenyl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)Nc2cc(N)c(F)cc2F)cc1.
What is the InChIKey of N-(5-amino-2,4-difluorophenyl)-4-propan-2-ylbenzamide?
The InChIKey is XHHXQHJYKJHKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-9(2)10-3-5-11(6-4-10)16(21)20-15-8-14(19)12(17)7-13(15)18/h3-9H,19H2,1-2H3,(H,20,21).
What are the key properties of N-(5-amino-2,4-difluorophenyl)-4-propan-2-ylbenzamide?
N-(5-amino-2,4-difluorophenyl)-4-propan-2-ylbenzamide has a molecular weight of 290.31 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4-difluorophenyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 43549828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).