3-(3-cyclopentyloxyphenyl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)propanamide

C26H26F2N2O2 — CID 56527894

IUPAC3-(3-cyclopentyloxyphenyl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCc1cccc(OC2CCCC2)c1)N(Cc1ccccn1)c1ccc(F)cc1F
InChIInChI=1S/C26H26F2N2O2/c27-20-12-13-25(24(28)17-20)30(18-21-7-3-4-15-29-21)26(31)14-11-19-6-5-10-23(16-19)32-22-8-1-2-9-22/h3-7,10,12-13,15-17,22H,1-2,8-9,11,14,18H2
InChIKeyFLYRELIYCSVCPR-UHFFFAOYSA-N
MW436.50 g/mol
LogP5.85
Rot. Bonds8

About 3-(3-cyclopentyloxyphenyl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)propanamide

3-(3-cyclopentyloxyphenyl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 56527894) has the molecular formula C26H26F2N2O2 and a molecular weight of 436.50 g/mol. Its IUPAC name is 3-(3-cyclopentyloxyphenyl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-cyclopentyloxyphenyl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID56527894
Molecular FormulaC26H26F2N2O2
Molecular Weight436.50 g/mol
Exact Mass436.20
IUPAC Name3-(3-cyclopentyloxyphenyl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCc1cccc(OC2CCCC2)c1)N(Cc1ccccn1)c1ccc(F)cc1F
InChIInChI=1S/C26H26F2N2O2/c27-20-12-13-25(24(28)17-20)30(18-21-7-3-4-15-29-21)26(31)14-11-19-6-5-10-23(16-19)32-22-8-1-2-9-22/h3-7,10,12-13,15-17,22H,1-2,8-9,11,14,18H2
InChIKeyFLYRELIYCSVCPR-UHFFFAOYSA-N
XLogP5.85
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.50
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 55890261
N-(2,4-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)propanamide
CID 55888737
N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55890519
2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 55888858
N-[3-[2,4-difluoro-N-(pyridin-2-ylmethyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 55889493
N-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889361
2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid
CID 119206123
3-amino-N-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 39372159
3-[4-[(3-cyclohexyloxyphenyl)methoxy]-3,5-difluorophenyl]propanoic acid
CID 23136302
5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 55890396
1-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 47063538
1-cyclopropyl-3-(3-cyclopropyloxyphenyl)propan-1-one
CID 114522899

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxyphenyl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(3-cyclopentyloxyphenyl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)propanamide (CID 56527894) is 3-(3-cyclopentyloxyphenyl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-cyclopentyloxyphenyl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3-cyclopentyloxyphenyl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)propanamide is O=C(CCc1cccc(OC2CCCC2)c1)N(Cc1ccccn1)c1ccc(F)cc1F.
What is the InChIKey of 3-(3-cyclopentyloxyphenyl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is FLYRELIYCSVCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N2O2/c27-20-12-13-25(24(28)17-20)30(18-21-7-3-4-15-29-21)26(31)14-11-19-6-5-10-23(16-19)32-22-8-1-2-9-22/h3-7,10,12-13,15-17,22H,1-2,8-9,11,14,18H2.
What are the key properties of 3-(3-cyclopentyloxyphenyl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)propanamide?
3-(3-cyclopentyloxyphenyl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 436.50 g/mol, XLogP of 5.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxyphenyl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 56527894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).