5-[[(3-chlorobenzoyl)-methylamino]methyl]-2-fluoro-N-methylbenzamide

C17H16ClFN2O2 — CID 166720300

IUPAC5-[[(3-chlorobenzoyl)-methylamino]methyl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(CN(C)C(=O)c2cccc(Cl)c2)ccc1F
InChIInChI=1S/C17H16ClFN2O2/c1-20-16(22)14-8-11(6-7-15(14)19)10-21(2)17(23)12-4-3-5-13(18)9-12/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyJVAGJSOMULNKLS-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.11
Rot. Bonds4

About 5-[[(3-chlorobenzoyl)-methylamino]methyl]-2-fluoro-N-methylbenzamide

5-[[(3-chlorobenzoyl)-methylamino]methyl]-2-fluoro-N-methylbenzamide (PubChem CID 166720300) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 5-[[(3-chlorobenzoyl)-methylamino]methyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-[[(3-chlorobenzoyl)-methylamino]methyl]-2-fluoro-N-methylbenzamide
PubChem CID166720300
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Name5-[[(3-chlorobenzoyl)-methylamino]methyl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(CN(C)C(=O)c2cccc(Cl)c2)ccc1F
InChIInChI=1S/C17H16ClFN2O2/c1-20-16(22)14-8-11(6-7-15(14)19)10-21(2)17(23)12-4-3-5-13(18)9-12/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyJVAGJSOMULNKLS-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60674642
3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 27795286
3-[[benzoyl(methyl)amino]methyl]-N-methylbenzamide
CID 170263663
N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide
CID 78768490
N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 78771235
5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 61118192
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 107999288
3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889424
N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 39966358
3-N-benzyl-1-N-(4-chlorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054551
1-[(3-chlorophenyl)methyl]-3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-methylurea
CID 60605444

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-chlorobenzoyl)-methylamino]methyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-[[(3-chlorobenzoyl)-methylamino]methyl]-2-fluoro-N-methylbenzamide (CID 166720300) is 5-[[(3-chlorobenzoyl)-methylamino]methyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-[[(3-chlorobenzoyl)-methylamino]methyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-[[(3-chlorobenzoyl)-methylamino]methyl]-2-fluoro-N-methylbenzamide is CNC(=O)c1cc(CN(C)C(=O)c2cccc(Cl)c2)ccc1F.
What is the InChIKey of 5-[[(3-chlorobenzoyl)-methylamino]methyl]-2-fluoro-N-methylbenzamide?
The InChIKey is JVAGJSOMULNKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c1-20-16(22)14-8-11(6-7-15(14)19)10-21(2)17(23)12-4-3-5-13(18)9-12/h3-9H,10H2,1-2H3,(H,20,22).
What are the key properties of 5-[[(3-chlorobenzoyl)-methylamino]methyl]-2-fluoro-N-methylbenzamide?
5-[[(3-chlorobenzoyl)-methylamino]methyl]-2-fluoro-N-methylbenzamide has a molecular weight of 334.78 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-chlorobenzoyl)-methylamino]methyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 166720300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).