N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide

C19H23FN2O — CID 119527349

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(N)c2ccc(C(C)C)cc2)c1F
InChIInChI=1S/C19H23FN2O/c1-12(2)14-7-9-15(10-8-14)17(21)11-22-19(23)16-6-4-5-13(3)18(16)20/h4-10,12,17H,11,21H2,1-3H3,(H,22,23)
InChIKeyWLCRVPIBZMWJNA-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.69
Rot. Bonds5

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide (PubChem CID 119527349) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide
PubChem CID119527349
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(N)c2ccc(C(C)C)cc2)c1F
InChIInChI=1S/C19H23FN2O/c1-12(2)14-7-9-15(10-8-14)17(21)11-22-19(23)16-6-4-5-13(3)18(16)20/h4-10,12,17H,11,21H2,1-3H3,(H,22,23)
InChIKeyWLCRVPIBZMWJNA-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 119525343
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-4-methylbenzamide
CID 119526803
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide
CID 119527099
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512650
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 119260530
N-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide
CID 107158406
2-(2-amino-2-oxoethyl)sulfanyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 119525363
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride
CID 119525380
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-bromo-4-fluorobenzamide;hydrochloride
CID 119526384
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylfuran-2-carboxamide
CID 119525583
5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82682663
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 119526933

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide (CID 119527349) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)NCC(N)c2ccc(C(C)C)cc2)c1F.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide?
The InChIKey is WLCRVPIBZMWJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-12(2)14-7-9-15(10-8-14)17(21)11-22-19(23)16-6-4-5-13(3)18(16)20/h4-10,12,17H,11,21H2,1-3H3,(H,22,23).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide has a molecular weight of 314.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 119527349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).