N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide

C21H18Cl2N2O — CID 168853808

IUPACN-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1ccccc1)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H18Cl2N2O/c22-19-9-8-18(20(23)12-19)15-25(14-17-7-4-10-24-13-17)21(26)11-16-5-2-1-3-6-16/h1-10,12-13H,11,14-15H2
InChIKeyKFIASFCVIHRLJD-UHFFFAOYSA-N
MW385.29 g/mol
LogP5.16
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide

N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 168853808) has the molecular formula C21H18Cl2N2O and a molecular weight of 385.29 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID168853808
Molecular FormulaC21H18Cl2N2O
Molecular Weight385.29 g/mol
Exact Mass384.08
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1ccccc1)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H18Cl2N2O/c22-19-9-8-18(20(23)12-19)15-25(14-17-7-4-10-24-13-17)21(26)11-16-5-2-1-3-6-16/h1-10,12-13H,11,14-15H2
InChIKeyKFIASFCVIHRLJD-UHFFFAOYSA-N
XLogP5.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.29
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 168853651
2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 168853809
N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide
CID 168853794
N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxane-4-carboxamide
CID 168853730
N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853797
3-bromo-N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853687
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea
CID 692924
N-benzyl-N-(2-hydroxyethyl)-2-pyridin-3-ylacetamide
CID 62689181
2-(5-chloro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 75435791
1-[(2,4-dichlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea
CID 4228715
2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 51131658

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide (CID 168853808) is N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide is O=C(Cc1ccccc1)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is KFIASFCVIHRLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O/c22-19-9-8-18(20(23)12-19)15-25(14-17-7-4-10-24-13-17)21(26)11-16-5-2-1-3-6-16/h1-10,12-13H,11,14-15H2.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 385.29 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 168853808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).