4-[benzoyl(benzyl)amino]-5,7-dichloronaphthalene-2-carboxylic acid

C25H17Cl2NO3 — CID 71283525

IUPAC4-[benzoyl(benzyl)amino]-5,7-dichloronaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(N(Cc2ccccc2)C(=O)c2ccccc2)c2c(Cl)cc(Cl)cc2c1
InChIInChI=1S/C25H17Cl2NO3/c26-20-12-18-11-19(25(30)31)13-22(23(18)21(27)14-20)28(15-16-7-3-1-4-8-16)24(29)17-9-5-2-6-10-17/h1-14H,15H2,(H,30,31)
InChIKeyPSNRTOYVUAMRRN-UHFFFAOYSA-N
MW450.32 g/mol
LogP6.69
Rot. Bonds5

About 4-[benzoyl(benzyl)amino]-5,7-dichloronaphthalene-2-carboxylic acid

4-[benzoyl(benzyl)amino]-5,7-dichloronaphthalene-2-carboxylic acid (PubChem CID 71283525) has the molecular formula C25H17Cl2NO3 and a molecular weight of 450.32 g/mol. Its IUPAC name is 4-[benzoyl(benzyl)amino]-5,7-dichloronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-[benzoyl(benzyl)amino]-5,7-dichloronaphthalene-2-carboxylic acid
PubChem CID71283525
Molecular FormulaC25H17Cl2NO3
Molecular Weight450.32 g/mol
Exact Mass449.06
IUPAC Name4-[benzoyl(benzyl)amino]-5,7-dichloronaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(N(Cc2ccccc2)C(=O)c2ccccc2)c2c(Cl)cc(Cl)cc2c1
InChIInChI=1S/C25H17Cl2NO3/c26-20-12-18-11-19(25(30)31)13-22(23(18)21(27)14-20)28(15-16-7-3-1-4-8-16)24(29)17-9-5-2-6-10-17/h1-14H,15H2,(H,30,31)
InChIKeyPSNRTOYVUAMRRN-UHFFFAOYSA-N
XLogP6.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.32
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(N-(4-chlorobenzoyl)-2-ethylanilino)methyl]benzoic acid
CID 84558995
5,7-dichloro-4-[methyl(pyrimidine-2-carbonyl)amino]naphthalene-2-carboxylic acid
CID 71283396
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
5,7-dichloro-4-[methyl-[2-oxo-2-(pyrimidin-5-ylmethylamino)ethyl]amino]naphthalene-2-carboxylic acid
CID 71283118
3,5-dichloro-4-(dibenzylamino)benzoic acid
CID 59152637
N-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide
CID 87870486
4-[(2-carboxyphenyl)methoxy]-5,7-dichloronaphthalene-2-carboxylic acid
CID 67479312
3-[(N-(3,4-difluorobenzoyl)-2-ethylanilino)methyl]benzoic acid
CID 84559768
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
5,7-dichloro-4-[2-[N-(cyanomethyl)anilino]-2-oxoethoxy]naphthalene-2-carboxylic acid
CID 87415811
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328

Frequently Asked Questions

What is the IUPAC name of 4-[benzoyl(benzyl)amino]-5,7-dichloronaphthalene-2-carboxylic acid?
The IUPAC name of 4-[benzoyl(benzyl)amino]-5,7-dichloronaphthalene-2-carboxylic acid (CID 71283525) is 4-[benzoyl(benzyl)amino]-5,7-dichloronaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-[benzoyl(benzyl)amino]-5,7-dichloronaphthalene-2-carboxylic acid?
The canonical SMILES for 4-[benzoyl(benzyl)amino]-5,7-dichloronaphthalene-2-carboxylic acid is O=C(O)c1cc(N(Cc2ccccc2)C(=O)c2ccccc2)c2c(Cl)cc(Cl)cc2c1.
What is the InChIKey of 4-[benzoyl(benzyl)amino]-5,7-dichloronaphthalene-2-carboxylic acid?
The InChIKey is PSNRTOYVUAMRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2NO3/c26-20-12-18-11-19(25(30)31)13-22(23(18)21(27)14-20)28(15-16-7-3-1-4-8-16)24(29)17-9-5-2-6-10-17/h1-14H,15H2,(H,30,31).
What are the key properties of 4-[benzoyl(benzyl)amino]-5,7-dichloronaphthalene-2-carboxylic acid?
4-[benzoyl(benzyl)amino]-5,7-dichloronaphthalene-2-carboxylic acid has a molecular weight of 450.32 g/mol, XLogP of 6.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzoyl(benzyl)amino]-5,7-dichloronaphthalene-2-carboxylic acid is sourced from PubChem (CID 71283525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).