N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide

C23H22F2N2O3 — CID 55890261

IUPACN-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide
SMILESCOc1ccc(OCCCC(=O)N(Cc2ccccn2)c2ccc(F)cc2F)cc1
InChIInChI=1S/C23H22F2N2O3/c1-29-19-8-10-20(11-9-19)30-14-4-6-23(28)27(16-18-5-2-3-13-26-18)22-12-7-17(24)15-21(22)25/h2-3,5,7-13,15H,4,6,14,16H2,1H3
InChIKeyVJJCZLLBQOSXNI-UHFFFAOYSA-N
MW412.44 g/mol
LogP4.76
Rot. Bonds9

About N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide

N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 55890261) has the molecular formula C23H22F2N2O3 and a molecular weight of 412.44 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide
PubChem CID55890261
Molecular FormulaC23H22F2N2O3
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC NameN-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide
SMILESCOc1ccc(OCCCC(=O)N(Cc2ccccn2)c2ccc(F)cc2F)cc1
InChIInChI=1S/C23H22F2N2O3/c1-29-19-8-10-20(11-9-19)30-14-4-6-23(28)27(16-18-5-2-3-13-26-18)22-12-7-17(24)15-21(22)25/h2-3,5,7-13,15H,4,6,14,16H2,1H3
InChIKeyVJJCZLLBQOSXNI-UHFFFAOYSA-N
XLogP4.76
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889361
N-(2,4-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)propanamide
CID 55888737
3-(3-cyclopentyloxyphenyl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 56527894
N-[3-[2,4-difluoro-N-(pyridin-2-ylmethyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 55889493
2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 55888858
4-(2-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
CID 108756034
N-(4-chlorophenyl)-2-(4-fluorophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889469
5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 55890396
N-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 55890007
N-(4-chlorophenyl)-2-fluoro-4-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 55889212
3-amino-N-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 39372159
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide
CID 41322934

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide (CID 55890261) is N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide is COc1ccc(OCCCC(=O)N(Cc2ccccn2)c2ccc(F)cc2F)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is VJJCZLLBQOSXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O3/c1-29-19-8-10-20(11-9-19)30-14-4-6-23(28)27(16-18-5-2-3-13-26-18)22-12-7-17(24)15-21(22)25/h2-3,5,7-13,15H,4,6,14,16H2,1H3.
What are the key properties of N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide?
N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 412.44 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 55890261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).