4-[(6,7-dichloronaphthalen-2-yl)methyl]-N-phenylbenzamide

C24H17Cl2NO — CID 59058109

IUPAC4-[(6,7-dichloronaphthalen-2-yl)methyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(Cc2ccc3cc(Cl)c(Cl)cc3c2)cc1
InChIInChI=1S/C24H17Cl2NO/c25-22-14-19-11-8-17(13-20(19)15-23(22)26)12-16-6-9-18(10-7-16)24(28)27-21-4-2-1-3-5-21/h1-11,13-15H,12H2,(H,27,28)
InChIKeyHKGOFXQCDOJRNZ-UHFFFAOYSA-N
MW406.31 g/mol
LogP6.99
Rot. Bonds4

About 4-[(6,7-dichloronaphthalen-2-yl)methyl]-N-phenylbenzamide

4-[(6,7-dichloronaphthalen-2-yl)methyl]-N-phenylbenzamide (PubChem CID 59058109) has the molecular formula C24H17Cl2NO and a molecular weight of 406.31 g/mol. Its IUPAC name is 4-[(6,7-dichloronaphthalen-2-yl)methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(6,7-dichloronaphthalen-2-yl)methyl]-N-phenylbenzamide
PubChem CID59058109
Molecular FormulaC24H17Cl2NO
Molecular Weight406.31 g/mol
Exact Mass405.07
IUPAC Name4-[(6,7-dichloronaphthalen-2-yl)methyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(Cc2ccc3cc(Cl)c(Cl)cc3c2)cc1
InChIInChI=1S/C24H17Cl2NO/c25-22-14-19-11-8-17(13-20(19)15-23(22)26)12-16-6-9-18(10-7-16)24(28)27-21-4-2-1-3-5-21/h1-11,13-15H,12H2,(H,27,28)
InChIKeyHKGOFXQCDOJRNZ-UHFFFAOYSA-N
XLogP6.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.31
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide
CID 19595926
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119394
3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 3995292
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide
CID 129206265
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide
CID 168823701
N-[4-[[4,6-dichloro-5-(2-hydroxyprop-2-enyl)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide
CID 88986549
[4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate
CID 7723510
N-[4-(sulfanylmethyl)phenyl]benzamide
CID 130322927
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632

Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-dichloronaphthalen-2-yl)methyl]-N-phenylbenzamide?
The IUPAC name of 4-[(6,7-dichloronaphthalen-2-yl)methyl]-N-phenylbenzamide (CID 59058109) is 4-[(6,7-dichloronaphthalen-2-yl)methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[(6,7-dichloronaphthalen-2-yl)methyl]-N-phenylbenzamide?
The canonical SMILES for 4-[(6,7-dichloronaphthalen-2-yl)methyl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(Cc2ccc3cc(Cl)c(Cl)cc3c2)cc1.
What is the InChIKey of 4-[(6,7-dichloronaphthalen-2-yl)methyl]-N-phenylbenzamide?
The InChIKey is HKGOFXQCDOJRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2NO/c25-22-14-19-11-8-17(13-20(19)15-23(22)26)12-16-6-9-18(10-7-16)24(28)27-21-4-2-1-3-5-21/h1-11,13-15H,12H2,(H,27,28).
What are the key properties of 4-[(6,7-dichloronaphthalen-2-yl)methyl]-N-phenylbenzamide?
4-[(6,7-dichloronaphthalen-2-yl)methyl]-N-phenylbenzamide has a molecular weight of 406.31 g/mol, XLogP of 6.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-dichloronaphthalen-2-yl)methyl]-N-phenylbenzamide is sourced from PubChem (CID 59058109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).