N-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide

C26H20Cl2N2O — CID 168853807

IUPACN-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1cccc(-c2ccccc2)c1)N(Cc1cccnc1)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C26H20Cl2N2O/c27-24-12-20(13-25(28)15-24)18-30(17-19-6-5-11-29-16-19)26(31)23-10-4-9-22(14-23)21-7-2-1-3-8-21/h1-16H,17-18H2
InChIKeySYPXLIXHLGQPSE-UHFFFAOYSA-N
MW447.37 g/mol
LogP6.90
Rot. Bonds6

About N-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide

N-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 168853807) has the molecular formula C26H20Cl2N2O and a molecular weight of 447.37 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID168853807
Molecular FormulaC26H20Cl2N2O
Molecular Weight447.37 g/mol
Exact Mass446.10
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1cccc(-c2ccccc2)c1)N(Cc1cccnc1)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C26H20Cl2N2O/c27-24-12-20(13-25(28)15-24)18-30(17-19-6-5-11-29-16-19)26(31)23-10-4-9-22(14-23)21-7-2-1-3-8-21/h1-16H,17-18H2
InChIKeySYPXLIXHLGQPSE-UHFFFAOYSA-N
XLogP6.90
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.37
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
N-[(3,5-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853803
N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853797
3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide
CID 132554500
methylsulfanylmethylbenzene;2-[[(3-phenylbenzoyl)-(pyridin-3-ylmethyl)carbamoyl]amino]acetic acid
CID 143161967
N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43813584
3-chloro-N-(2-hydroxyethyl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 75435792
N-[(4-ethylphenyl)methyl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 39738224
N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide
CID 168853794
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487
N-[(4-but-2-ynoxyphenyl)methyl]-4-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 42429960
2-(2-chloro-4-phenylphenoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 78806460

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide (CID 168853807) is N-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide is O=C(c1cccc(-c2ccccc2)c1)N(Cc1cccnc1)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is SYPXLIXHLGQPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N2O/c27-24-12-20(13-25(28)15-24)18-30(17-19-6-5-11-29-16-19)26(31)23-10-4-9-22(14-23)21-7-2-1-3-8-21/h1-16H,17-18H2.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide?
N-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 447.37 g/mol, XLogP of 6.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 168853807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).