N-[(3,5-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide

C21H17Cl2FN2O2 — CID 168853803

IUPACN-[(3,5-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2cccnc2)Cc2cc(Cl)cc(Cl)c2)ccc1F
InChIInChI=1S/C21H17Cl2FN2O2/c1-28-20-9-16(4-5-19(20)24)21(27)26(12-14-3-2-6-25-11-14)13-15-7-17(22)10-18(23)8-15/h2-11H,12-13H2,1H3
InChIKeyJMIHZMQUPXYTFE-UHFFFAOYSA-N
MW419.28 g/mol
LogP5.38
Rot. Bonds6

About N-[(3,5-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide

N-[(3,5-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 168853803) has the molecular formula C21H17Cl2FN2O2 and a molecular weight of 419.28 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID168853803
Molecular FormulaC21H17Cl2FN2O2
Molecular Weight419.28 g/mol
Exact Mass418.07
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2cccnc2)Cc2cc(Cl)cc(Cl)c2)ccc1F
InChIInChI=1S/C21H17Cl2FN2O2/c1-28-20-9-16(4-5-19(20)24)21(27)26(12-14-3-2-6-25-11-14)13-15-7-17(22)10-18(23)8-15/h2-11H,12-13H2,1H3
InChIKeyJMIHZMQUPXYTFE-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

N-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 168853807
N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853797
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792706
N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide
CID 168853794
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 42248306
3-chloro-4-ethoxy-5-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 47068322
3-bromo-N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853687
N-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110426924
3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 86932709
4-chloro-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 41019013
3,5-dichloro-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40983361
4-bromo-N-(2-cyanoethyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 99157401

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide (CID 168853803) is N-[(3,5-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide is COc1cc(C(=O)N(Cc2cccnc2)Cc2cc(Cl)cc(Cl)c2)ccc1F.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is JMIHZMQUPXYTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2FN2O2/c1-28-20-9-16(4-5-19(20)24)21(27)26(12-14-3-2-6-25-11-14)13-15-7-17(22)10-18(23)8-15/h2-11H,12-13H2,1H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
N-[(3,5-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-[(3,5-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 168853803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).