N-[4-[2-(3-chloro-6-methoxy-2-pyridinyl)propan-2-yloxy]-3-fluorophenyl]-2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetamide

C26H26ClF3N2O4 — CID 126720334

IUPACN-[4-[2-(3-chloro-6-methoxy-2-pyridinyl)propan-2-yloxy]-3-fluorophenyl]-2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetamide
SMILESCOc1ccc(Cl)c(C(C)(C)Oc2ccc(NC(=O)Cc3ccc(C(F)(F)C(C)O)cc3)cc2F)n1
InChIInChI=1S/C26H26ClF3N2O4/c1-15(33)26(29,30)17-7-5-16(6-8-17)13-22(34)31-18-9-11-21(20(28)14-18)36-25(2,3)24-19(27)10-12-23(32-24)35-4/h5-12,14-15,33H,13H2,1-4H3,(H,31,34)
InChIKeyIZDDBOYXPFJJCW-UHFFFAOYSA-N
MW522.95 g/mol
LogP5.85
Rot. Bonds9

About N-[4-[2-(3-chloro-6-methoxy-2-pyridinyl)propan-2-yloxy]-3-fluorophenyl]-2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetamide

N-[4-[2-(3-chloro-6-methoxy-2-pyridinyl)propan-2-yloxy]-3-fluorophenyl]-2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetamide (PubChem CID 126720334) has the molecular formula C26H26ClF3N2O4 and a molecular weight of 522.95 g/mol. Its IUPAC name is N-[4-[2-(3-chloro-6-methoxy-2-pyridinyl)propan-2-yloxy]-3-fluorophenyl]-2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(3-chloro-6-methoxy-2-pyridinyl)propan-2-yloxy]-3-fluorophenyl]-2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetamide
PubChem CID126720334
Molecular FormulaC26H26ClF3N2O4
Molecular Weight522.95 g/mol
Exact Mass522.15
IUPAC NameN-[4-[2-(3-chloro-6-methoxy-2-pyridinyl)propan-2-yloxy]-3-fluorophenyl]-2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetamide
SMILESCOc1ccc(Cl)c(C(C)(C)Oc2ccc(NC(=O)Cc3ccc(C(F)(F)C(C)O)cc3)cc2F)n1
InChIInChI=1S/C26H26ClF3N2O4/c1-15(33)26(29,30)17-7-5-16(6-8-17)13-22(34)31-18-9-11-21(20(28)14-18)36-25(2,3)24-19(27)10-12-23(32-24)35-4/h5-12,14-15,33H,13H2,1-4H3,(H,31,34)
InChIKeyIZDDBOYXPFJJCW-UHFFFAOYSA-N
XLogP5.85
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.95
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(5-chloro-1-ethylbenzimidazol-2-yl)propan-2-yloxy]-3-fluorophenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
CID 126720320
N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 110776473
N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 145196889
2-(4-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 43380396
2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]-N-[1-[2-(2,5-difluorophenyl)-2-methylpropyl]benzotriazol-5-yl]acetamide
CID 154004178
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 2101244
N-[2-[2-(4-chloro-2-fluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118456312
N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 7934876
N-(2-chloro-6-methylphenyl)-4-[[2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetyl]amino]-N-methylbenzamide
CID 135306708
4-[[2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetyl]amino]-N-(2-fluoro-5-methylphenyl)-N-methylbenzamide
CID 126649580
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-[[2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetyl]amino]-N-methylbenzamide
CID 135306696
N-[4-[3-[1-(2-chlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetamide
CID 146440995

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-chloro-6-methoxy-2-pyridinyl)propan-2-yloxy]-3-fluorophenyl]-2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetamide?
The IUPAC name of N-[4-[2-(3-chloro-6-methoxy-2-pyridinyl)propan-2-yloxy]-3-fluorophenyl]-2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetamide (CID 126720334) is N-[4-[2-(3-chloro-6-methoxy-2-pyridinyl)propan-2-yloxy]-3-fluorophenyl]-2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(3-chloro-6-methoxy-2-pyridinyl)propan-2-yloxy]-3-fluorophenyl]-2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetamide?
The canonical SMILES for N-[4-[2-(3-chloro-6-methoxy-2-pyridinyl)propan-2-yloxy]-3-fluorophenyl]-2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetamide is COc1ccc(Cl)c(C(C)(C)Oc2ccc(NC(=O)Cc3ccc(C(F)(F)C(C)O)cc3)cc2F)n1.
What is the InChIKey of N-[4-[2-(3-chloro-6-methoxy-2-pyridinyl)propan-2-yloxy]-3-fluorophenyl]-2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetamide?
The InChIKey is IZDDBOYXPFJJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF3N2O4/c1-15(33)26(29,30)17-7-5-16(6-8-17)13-22(34)31-18-9-11-21(20(28)14-18)36-25(2,3)24-19(27)10-12-23(32-24)35-4/h5-12,14-15,33H,13H2,1-4H3,(H,31,34).
What are the key properties of N-[4-[2-(3-chloro-6-methoxy-2-pyridinyl)propan-2-yloxy]-3-fluorophenyl]-2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetamide?
N-[4-[2-(3-chloro-6-methoxy-2-pyridinyl)propan-2-yloxy]-3-fluorophenyl]-2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetamide has a molecular weight of 522.95 g/mol, XLogP of 5.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-chloro-6-methoxy-2-pyridinyl)propan-2-yloxy]-3-fluorophenyl]-2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetamide is sourced from PubChem (CID 126720334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).