N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide

C17H17FN2O2 — CID 113094823

IUPACN-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide
SMILESCC(=O)N(C)c1ccc(N(C)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O2/c1-12(21)19(2)15-8-10-16(11-9-15)20(3)17(22)13-4-6-14(18)7-5-13/h4-11H,1-3H3
InChIKeyIAKDBKCDBLTGCM-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.09
Rot. Bonds3

About N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide

N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide (PubChem CID 113094823) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide
PubChem CID113094823
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide
SMILESCC(=O)N(C)c1ccc(N(C)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O2/c1-12(21)19(2)15-8-10-16(11-9-15)20(3)17(22)13-4-6-14(18)7-5-13/h4-11H,1-3H3
InChIKeyIAKDBKCDBLTGCM-UHFFFAOYSA-N
XLogP3.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide
CID 113094861
N-(4-carbamothioylphenyl)-4-fluoro-N-methylbenzamide
CID 62971873
N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
CID 103956579
N-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide
CID 126795374
4-(4-fluorophenoxy)-N-methyl-N-phenylbenzamide
CID 25491019
3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 79467031
4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide
CID 100785367
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852
N-(6-amino-3-pyridinyl)-4-fluoro-N-methylbenzamide
CID 115268417
2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 61062805
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 3819698

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide (CID 113094823) is N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide is CC(=O)N(C)c1ccc(N(C)C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide?
The InChIKey is IAKDBKCDBLTGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-12(21)19(2)15-8-10-16(11-9-15)20(3)17(22)13-4-6-14(18)7-5-13/h4-11H,1-3H3.
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide?
N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide has a molecular weight of 300.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 113094823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).