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

C21H18Cl2N2O2 — CID 168853797

IUPACN-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)N(Cc2cccnc2)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H18Cl2N2O2/c1-27-19-6-2-5-16(10-19)21(26)25(13-15-4-3-9-24-12-15)14-17-7-8-18(22)11-20(17)23/h2-12H,13-14H2,1H3
InChIKeyUTZYEZWMOJFNNS-UHFFFAOYSA-N
MW401.29 g/mol
LogP5.24
Rot. Bonds6

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

N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 168853797) has the molecular formula C21H18Cl2N2O2 and a molecular weight of 401.29 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID168853797
Molecular FormulaC21H18Cl2N2O2
Molecular Weight401.29 g/mol
Exact Mass400.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)N(Cc2cccnc2)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H18Cl2N2O2/c1-27-19-6-2-5-16(10-19)21(26)25(13-15-4-3-9-24-12-15)14-17-7-8-18(22)11-20(17)23/h2-12H,13-14H2,1H3
InChIKeyUTZYEZWMOJFNNS-UHFFFAOYSA-N
XLogP5.24
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.29
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853687
N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide
CID 168853794
N-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110426924
2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 168853809
N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 168853808
3-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 110360522
1-[(2,4-dichlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea
CID 4228715
N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 18572499
N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 168853651
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 42248306
N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 168853785
N-[(3,5-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853803

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide (CID 168853797) is N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide is COc1cccc(C(=O)N(Cc2cccnc2)Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is UTZYEZWMOJFNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O2/c1-27-19-6-2-5-16(10-19)21(26)25(13-15-4-3-9-24-12-15)14-17-7-8-18(22)11-20(17)23/h2-12H,13-14H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 401.29 g/mol, XLogP of 5.24, 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]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 168853797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).