4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide

C17H17FN2O2 — CID 8698667

IUPAC4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O2/c1-20(2)17(22)13-5-9-15(10-6-13)19-16(21)11-12-3-7-14(18)8-4-12/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyCCAJTEJGWQYHSM-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.71
Rot. Bonds4

About 4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide

4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 8698667) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID8698667
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O2/c1-20(2)17(22)13-5-9-15(10-6-13)19-16(21)11-12-3-7-14(18)8-4-12/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyCCAJTEJGWQYHSM-UHFFFAOYSA-N
XLogP2.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
N-[4-[2-(dimethylamino)ethylamino]phenyl]-2-(4-fluorophenyl)acetamide
CID 112981313
N-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 849192
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
methyl 4-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 112999943
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672080
4-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 60537205
4-(4-hydroxypentanoylamino)-N,N-dimethylbenzamide
CID 79191364
4-[(4-fluorobenzoyl)carbamothioylamino]-N,N-dimethylbenzamide
CID 17231504
N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide
CID 38107976
N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 28754531

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide (CID 8698667) is 4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is CCAJTEJGWQYHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-20(2)17(22)13-5-9-15(10-6-13)19-16(21)11-12-3-7-14(18)8-4-12/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of 4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 300.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 8698667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).