N-cyclopropyl-2-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide

C18H18F2N2O2 — CID 51096504

IUPACN-cyclopropyl-2-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C18H18F2N2O2/c1-12(24-15-6-7-16(19)17(20)9-15)18(23)22(14-4-5-14)11-13-3-2-8-21-10-13/h2-3,6-10,12,14H,4-5,11H2,1H3
InChIKeyLYDYJQKWHRMBMJ-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.32
Rot. Bonds6

About N-cyclopropyl-2-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide

N-cyclopropyl-2-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 51096504) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID51096504
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC NameN-cyclopropyl-2-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C18H18F2N2O2/c1-12(24-15-6-7-16(19)17(20)9-15)18(23)22(14-4-5-14)11-13-3-2-8-21-10-13/h2-3,6-10,12,14H,4-5,11H2,1H3
InChIKeyLYDYJQKWHRMBMJ-UHFFFAOYSA-N
XLogP3.32
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497568
2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 54874663
2-(4-tert-butylphenoxy)-N-cyclopropyl-N-(pyridin-4-ylmethyl)propanamide
CID 55602806
(2S)-2-(3-fluorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 94628652
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 62680434
3-[cyclopropyl-[(3-pyridin-3-ylphenyl)methyl]amino]-2-methyl-3-oxopropanoic acid
CID 122066362
N-(4-chlorophenyl)-N'-cyclopropyl-N'-(pyridin-3-ylmethyl)oxamide
CID 75493389
2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 91767645
(2S)-2-(4-cyanophenoxy)-N-cyclopropyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 95283248
2-[2-(3,4-difluorophenoxy)propanoyl-methylamino]acetic acid
CID 119171905
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-cyclopropyl-2-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide (CID 51096504) is N-cyclopropyl-2-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-cyclopropyl-2-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-cyclopropyl-2-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide is CC(Oc1ccc(F)c(F)c1)C(=O)N(Cc1cccnc1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is LYDYJQKWHRMBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-12(24-15-6-7-16(19)17(20)9-15)18(23)22(14-4-5-14)11-13-3-2-8-21-10-13/h2-3,6-10,12,14H,4-5,11H2,1H3.
What are the key properties of N-cyclopropyl-2-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
N-cyclopropyl-2-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 332.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 51096504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).