N-[cyano-(2,4-difluorophenyl)methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide

C23H19F2N3O2 — CID 56584285

IUPACN-[cyano-(2,4-difluorophenyl)methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)NC(C#N)c2ccc(F)cc2F)cc(C)c1OCc1cccnc1
InChIInChI=1S/C23H19F2N3O2/c1-14-8-17(9-15(2)22(14)30-13-16-4-3-7-27-12-16)23(29)28-21(11-26)19-6-5-18(24)10-20(19)25/h3-10,12,21H,13H2,1-2H3,(H,28,29)
InChIKeyYQUUBAHCHAQRDZ-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.55
Rot. Bonds6

About N-[cyano-(2,4-difluorophenyl)methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide

N-[cyano-(2,4-difluorophenyl)methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 56584285) has the molecular formula C23H19F2N3O2 and a molecular weight of 407.42 g/mol. Its IUPAC name is N-[cyano-(2,4-difluorophenyl)methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[cyano-(2,4-difluorophenyl)methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID56584285
Molecular FormulaC23H19F2N3O2
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC NameN-[cyano-(2,4-difluorophenyl)methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)NC(C#N)c2ccc(F)cc2F)cc(C)c1OCc1cccnc1
InChIInChI=1S/C23H19F2N3O2/c1-14-8-17(9-15(2)22(14)30-13-16-4-3-7-27-12-16)23(29)28-21(11-26)19-6-5-18(24)10-20(19)25/h3-10,12,21H,13H2,1-2H3,(H,28,29)
InChIKeyYQUUBAHCHAQRDZ-UHFFFAOYSA-N
XLogP4.55
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55949228
2-(2,4-difluorophenyl)-2-(pyridin-3-ylmethylamino)acetonitrile
CID 84817178
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid
CID 120535842
N-[[3-(cyanomethoxy)phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 86946683
2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid
CID 120518519
N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide
CID 55691668
N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 75370477
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 56544612
N-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 119608365

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2,4-difluorophenyl)methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[cyano-(2,4-difluorophenyl)methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide (CID 56584285) is N-[cyano-(2,4-difluorophenyl)methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[cyano-(2,4-difluorophenyl)methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[cyano-(2,4-difluorophenyl)methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide is Cc1cc(C(=O)NC(C#N)c2ccc(F)cc2F)cc(C)c1OCc1cccnc1.
What is the InChIKey of N-[cyano-(2,4-difluorophenyl)methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is YQUUBAHCHAQRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O2/c1-14-8-17(9-15(2)22(14)30-13-16-4-3-7-27-12-16)23(29)28-21(11-26)19-6-5-18(24)10-20(19)25/h3-10,12,21H,13H2,1-2H3,(H,28,29).
What are the key properties of N-[cyano-(2,4-difluorophenyl)methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
N-[cyano-(2,4-difluorophenyl)methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 407.42 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2,4-difluorophenyl)methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 56584285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).