N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide

C20H24F2N2O2 — CID 60598560

IUPACN-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C20H24F2N2O2/c1-23(2)10-11-24(13-17-8-9-18(21)12-19(17)22)20(25)16-6-4-15(5-7-16)14-26-3/h4-9,12H,10-11,13-14H2,1-3H3
InChIKeyNORGEVZVLAYHIK-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.32
Rot. Bonds8

About N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide

N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide (PubChem CID 60598560) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide
PubChem CID60598560
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C20H24F2N2O2/c1-23(2)10-11-24(13-17-8-9-18(21)12-19(17)22)20(25)16-6-4-15(5-7-16)14-26-3/h4-9,12H,10-11,13-14H2,1-3H3
InChIKeyNORGEVZVLAYHIK-UHFFFAOYSA-N
XLogP3.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide
CID 60598670
2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide;hydrochloride
CID 120993055
2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide
CID 120993056
N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 60598503
[4-[[2-(dimethylamino)ethyl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 46110998
N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-methylsulfonylbenzamide
CID 51127416
N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 60598705
N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide
CID 61235842
N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide
CID 134053299
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
methyl 4-[(2,4-difluorophenyl)methyl]benzoate
CID 101156425
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-4-methoxy-3-nitrobenzamide
CID 47794433

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide (CID 60598560) is N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide?
The InChIKey is NORGEVZVLAYHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O2/c1-23(2)10-11-24(13-17-8-9-18(21)12-19(17)22)20(25)16-6-4-15(5-7-16)14-26-3/h4-9,12H,10-11,13-14H2,1-3H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide?
N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide has a molecular weight of 362.42 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 60598560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).