N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide

C17H18F2N2O — CID 134053299

IUPACN-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H18F2N2O/c1-20(2)15-8-5-12(6-9-15)17(22)21(3)11-13-4-7-14(18)10-16(13)19/h4-10H,11H2,1-3H3
InChIKeyGLHIHWKHRGAETI-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.30
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide

N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide (PubChem CID 134053299) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide
PubChem CID134053299
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC NameN-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H18F2N2O/c1-20(2)15-8-5-12(6-9-15)17(22)21(3)11-13-4-7-14(18)10-16(13)19/h4-10H,11H2,1-3H3
InChIKeyGLHIHWKHRGAETI-UHFFFAOYSA-N
XLogP3.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-6-carboxamide
CID 55730341
N-[2-(2,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 110795613
4-amino-N-[(2,4-difluorophenyl)methyl]-N-methyl-3-nitrobenzamide
CID 38220259
2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 62072492
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198
N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62649068
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
2-(2,5-difluorophenyl)-1-[4-(dimethylamino)phenyl]ethanone
CID 105082380
2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 79345363
2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 107074426

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide (CID 134053299) is N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide is CN(Cc1ccc(F)cc1F)C(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide?
The InChIKey is GLHIHWKHRGAETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-20(2)15-8-5-12(6-9-15)17(22)21(3)11-13-4-7-14(18)10-16(13)19/h4-10H,11H2,1-3H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide?
N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide has a molecular weight of 304.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide is sourced from PubChem (CID 134053299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).