N-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide

C16H17FN2O — CID 18072371

IUPACN-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2cc(N)ccc2F)cc1
InChIInChI=1S/C16H17FN2O/c1-10(2)11-3-5-12(6-4-11)16(20)19-15-9-13(18)7-8-14(15)17/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyCJEZMNXEYWPYDX-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.78
Rot. Bonds3

About N-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide

N-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide (PubChem CID 18072371) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide
PubChem CID18072371
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2cc(N)ccc2F)cc1
InChIInChI=1S/C16H17FN2O/c1-10(2)11-3-5-12(6-4-11)16(20)19-15-9-13(18)7-8-14(15)17/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyCJEZMNXEYWPYDX-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
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-2,4-difluorophenyl)-4-propan-2-ylbenzamide
CID 43549828
N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide
CID 16771732
N-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide
CID 62919110
N-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide
CID 114818556
N-(5-amino-2-fluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103793620
N-(5-amino-2-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18071479
N-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide
CID 16778120
N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-propan-2-ylbenzamide
CID 91675434
N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide
CID 103144350
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45433715
N-(5-amino-2-fluorophenyl)-1,3-benzodioxole-5-carboxamide
CID 16771364

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide (CID 18072371) is N-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)Nc2cc(N)ccc2F)cc1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide?
The InChIKey is CJEZMNXEYWPYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-10(2)11-3-5-12(6-4-11)16(20)19-15-9-13(18)7-8-14(15)17/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide?
N-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide has a molecular weight of 272.32 g/mol, XLogP of 3.78, 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-fluorophenyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 18072371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).