2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide

C16H17FN2O — CID 63109740

IUPAC2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(F)cc2N)cc1
InChIInChI=1S/C16H17FN2O/c1-11-3-5-12(6-4-11)10-19(2)16(20)14-8-7-13(17)9-15(14)18/h3-9H,10,18H2,1-2H3
InChIKeyIUIYWUGKNXMTML-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.99
Rot. Bonds3

About 2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide

2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 63109740) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
PubChem CID63109740
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(F)cc2N)cc1
InChIInChI=1S/C16H17FN2O/c1-11-3-5-12(6-4-11)10-19(2)16(20)14-8-7-13(17)9-15(14)18/h3-9H,10,18H2,1-2H3
InChIKeyIUIYWUGKNXMTML-UHFFFAOYSA-N
XLogP2.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 62072492
2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 63109669
5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 43510882
2-amino-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63110187
2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 62073634
2-amino-4-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 55137012
N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide
CID 43458074
5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103295957
2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 61118647
3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 43574101
4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 112702339
2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
CID 63110325

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide (CID 63109740) is 2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CN(C)C(=O)c2ccc(F)cc2N)cc1.
What is the InChIKey of 2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is IUIYWUGKNXMTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-3-5-12(6-4-11)10-19(2)16(20)14-8-7-13(17)9-15(14)18/h3-9H,10,18H2,1-2H3.
What are the key properties of 2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 272.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 63109740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).