3-chloro-2-fluoro-N-[2-methyl-3-(methylamino)propyl]benzamide

C12H16ClFN2O — CID 113282528

IUPAC3-chloro-2-fluoro-N-[2-methyl-3-(methylamino)propyl]benzamide
SMILESCNCC(C)CNC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C12H16ClFN2O/c1-8(6-15-2)7-16-12(17)9-4-3-5-10(13)11(9)14/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyYEGZCOMCPQPPND-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.06
Rot. Bonds5

About 3-chloro-2-fluoro-N-[2-methyl-3-(methylamino)propyl]benzamide

3-chloro-2-fluoro-N-[2-methyl-3-(methylamino)propyl]benzamide (PubChem CID 113282528) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[2-methyl-3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[2-methyl-3-(methylamino)propyl]benzamide
PubChem CID113282528
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name3-chloro-2-fluoro-N-[2-methyl-3-(methylamino)propyl]benzamide
SMILESCNCC(C)CNC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C12H16ClFN2O/c1-8(6-15-2)7-16-12(17)9-4-3-5-10(13)11(9)14/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyYEGZCOMCPQPPND-UHFFFAOYSA-N
XLogP2.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride
CID 91645374
2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 113265693
3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 81485364
3-chloro-2-fluoro-N-nonylbenzamide
CID 91722725
3-chloro-N-[(E)-4-chlorobut-2-enyl]-2-fluorobenzamide
CID 81429885
N-[(2R)-1-aminopropan-2-yl]-3-chloro-2-fluorobenzamide
CID 104877144
3-chloro-2-fluoro-N-tetradecylbenzamide
CID 91722769
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512650
N-(3-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119998030
2-chloro-N-(4-chloro-2-methylbutyl)benzamide
CID 114306157
N-(4-bromo-2-methylbutyl)-2,3-difluorobenzamide
CID 114316854
2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 81486845

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[2-methyl-3-(methylamino)propyl]benzamide?
The IUPAC name of 3-chloro-2-fluoro-N-[2-methyl-3-(methylamino)propyl]benzamide (CID 113282528) is 3-chloro-2-fluoro-N-[2-methyl-3-(methylamino)propyl]benzamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-[2-methyl-3-(methylamino)propyl]benzamide?
The canonical SMILES for 3-chloro-2-fluoro-N-[2-methyl-3-(methylamino)propyl]benzamide is CNCC(C)CNC(=O)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-[2-methyl-3-(methylamino)propyl]benzamide?
The InChIKey is YEGZCOMCPQPPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-8(6-15-2)7-16-12(17)9-4-3-5-10(13)11(9)14/h3-5,8,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 3-chloro-2-fluoro-N-[2-methyl-3-(methylamino)propyl]benzamide?
3-chloro-2-fluoro-N-[2-methyl-3-(methylamino)propyl]benzamide has a molecular weight of 258.72 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-[2-methyl-3-(methylamino)propyl]benzamide is sourced from PubChem (CID 113282528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).