N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide

C13H18F2N2O — CID 63694509

IUPACN-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide
SMILESCN(C)CCCN(C)C(=O)c1cccc(F)c1F
InChIInChI=1S/C13H18F2N2O/c1-16(2)8-5-9-17(3)13(18)10-6-4-7-11(14)12(10)15/h4,6-7H,5,8-9H2,1-3H3
InChIKeyNHSWFXDNTCSJLJ-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.99
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide

N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide (PubChem CID 63694509) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide
PubChem CID63694509
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide
SMILESCN(C)CCCN(C)C(=O)c1cccc(F)c1F
InChIInChI=1S/C13H18F2N2O/c1-16(2)8-5-9-17(3)13(18)10-6-4-7-11(14)12(10)15/h4,6-7H,5,8-9H2,1-3H3
InChIKeyNHSWFXDNTCSJLJ-UHFFFAOYSA-N
XLogP1.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-N-methyl-N-propylbenzamide
CID 62649186
2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80710110
2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 55110703
5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide
CID 63693697
2-bromo-N-(3-bromopropyl)-3-fluoro-N-methylbenzamide
CID 106441224
2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide
CID 62649252
2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865
5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide
CID 63693725
3-fluoro-N-methyl-N-pentyl-2-(propylamino)benzamide
CID 62649253
3-bromo-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300840
3-[3-(dimethylamino)propyl-(2-fluorobenzoyl)amino]propanoic acid
CID 82324770
N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62649068

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide (CID 63694509) is N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide is CN(C)CCCN(C)C(=O)c1cccc(F)c1F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide?
The InChIKey is NHSWFXDNTCSJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-16(2)8-5-9-17(3)13(18)10-6-4-7-11(14)12(10)15/h4,6-7H,5,8-9H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide?
N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide has a molecular weight of 256.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide is sourced from PubChem (CID 63694509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).