N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide

C25H28FN3O2 — CID 55949228

IUPACN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)NCC(c2ccc(F)cc2)N(C)C)cc(C)c1OCc1cccnc1
InChIInChI=1S/C25H28FN3O2/c1-17-12-21(13-18(2)24(17)31-16-19-6-5-11-27-14-19)25(30)28-15-23(29(3)4)20-7-9-22(26)10-8-20/h5-14,23H,15-16H2,1-4H3,(H,28,30)
InChIKeyFGSIDKSSQPHVEJ-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.45
Rot. Bonds8

About N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55949228) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID55949228
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC NameN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)NCC(c2ccc(F)cc2)N(C)C)cc(C)c1OCc1cccnc1
InChIInChI=1S/C25H28FN3O2/c1-17-12-21(13-18(2)24(17)31-16-19-6-5-11-27-14-19)25(30)28-15-23(29(3)4)20-7-9-22(26)10-8-20/h5-14,23H,15-16H2,1-4H3,(H,28,30)
InChIKeyFGSIDKSSQPHVEJ-UHFFFAOYSA-N
XLogP4.45
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55691583
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55690776
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
2-[[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 120528545
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 55691089
N-[3-[4-(dimethylamino)phenyl]propyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 46453709
3-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]-methylamino]-2-methylpropanoic acid
CID 120524284
N-[cyano-(2,4-difluorophenyl)methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 56584285
3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 47031577
2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid
CID 120518519

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide (CID 55949228) is N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide is Cc1cc(C(=O)NCC(c2ccc(F)cc2)N(C)C)cc(C)c1OCc1cccnc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is FGSIDKSSQPHVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c1-17-12-21(13-18(2)24(17)31-16-19-6-5-11-27-14-19)25(30)28-15-23(29(3)4)20-7-9-22(26)10-8-20/h5-14,23H,15-16H2,1-4H3,(H,28,30).
What are the key properties of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 421.52 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55949228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).