N-[(2,4-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide

C21H17Cl2FN2O2 — CID 168853683

IUPACN-[(2,4-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2cccnc2)Cc2ccc(Cl)cc2Cl)ccc1F
InChIInChI=1S/C21H17Cl2FN2O2/c1-28-20-9-15(5-7-19(20)24)21(27)26(12-14-3-2-8-25-11-14)13-16-4-6-17(22)10-18(16)23/h2-11H,12-13H2,1H3
InChIKeyVTQMXZLJCNBKSU-UHFFFAOYSA-N
MW419.28 g/mol
LogP5.38
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide

N-[(2,4-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 168853683) has the molecular formula C21H17Cl2FN2O2 and a molecular weight of 419.28 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID168853683
Molecular FormulaC21H17Cl2FN2O2
Molecular Weight419.28 g/mol
Exact Mass418.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2cccnc2)Cc2ccc(Cl)cc2Cl)ccc1F
InChIInChI=1S/C21H17Cl2FN2O2/c1-28-20-9-15(5-7-19(20)24)21(27)26(12-14-3-2-8-25-11-14)13-16-4-6-17(22)10-18(16)23/h2-11H,12-13H2,1H3
InChIKeyVTQMXZLJCNBKSU-UHFFFAOYSA-N
XLogP5.38
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.28
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(2,4-dichlorophenyl)ethoxy]-1-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzene-1,3-dicarboxamide
CID 10052619
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 10185372
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-{[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl}benzamide
CID 11398411
4-{[4-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methylphenyl}carbonyl)piperazin-1-yl]methyl}-1-oxidopyridin-1-ium
CID 11488924
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-ethoxyphenyl}carbonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 11752638
3-Oxybenzamide 29
CID 22052347
3-[2-(2,4-dichlorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052368
3-[2-(4-chlorophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052371
4-chloro-3-[2-(2,4-dichlorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052482
3-[2-(2,4-dichlorophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396199
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methyl-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396230
3-[2-(2,4-dichlorophenyl)ethoxy]-5-methoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396232

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide (CID 168853683) is N-[(2,4-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide is COc1cc(C(=O)N(Cc2cccnc2)Cc2ccc(Cl)cc2Cl)ccc1F.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is VTQMXZLJCNBKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2FN2O2/c1-28-20-9-15(5-7-19(20)24)21(27)26(12-14-3-2-8-25-11-14)13-16-4-6-17(22)10-18(16)23/h2-11H,12-13H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
N-[(2,4-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 419.28 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 168853683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).