2-[(2,4-dichlorobenzoyl)amino]-5-(2-methyl-5-propan-2-ylphenyl)benzoic acid;methane

C26H29Cl2NO3 — CID 158743170

IUPAC2-[(2,4-dichlorobenzoyl)amino]-5-(2-methyl-5-propan-2-ylphenyl)benzoic acid;methane
SMILESC.C.Cc1ccc(C(C)C)cc1-c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1
InChIInChI=1S/C24H21Cl2NO3.2CH4/c1-13(2)15-5-4-14(3)19(10-15)16-6-9-22(20(11-16)24(29)30)27-23(28)18-8-7-17(25)12-21(18)26;;/h4-13H,1-3H3,(H,27,28)(H,29,30);2*1H4
InChIKeyIMOCDKJHNMFNBF-UHFFFAOYSA-N
MW474.43 g/mol
LogP8.31
Rot. Bonds5

About 2-[(2,4-dichlorobenzoyl)amino]-5-(2-methyl-5-propan-2-ylphenyl)benzoic acid;methane

2-[(2,4-dichlorobenzoyl)amino]-5-(2-methyl-5-propan-2-ylphenyl)benzoic acid;methane (PubChem CID 158743170) has the molecular formula C26H29Cl2NO3 and a molecular weight of 474.43 g/mol. Its IUPAC name is 2-[(2,4-dichlorobenzoyl)amino]-5-(2-methyl-5-propan-2-ylphenyl)benzoic acid;methane.

Molecular Properties

Compound Name2-[(2,4-dichlorobenzoyl)amino]-5-(2-methyl-5-propan-2-ylphenyl)benzoic acid;methane
PubChem CID158743170
Molecular FormulaC26H29Cl2NO3
Molecular Weight474.43 g/mol
Exact Mass473.15
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]-5-(2-methyl-5-propan-2-ylphenyl)benzoic acid;methane
SMILESC.C.Cc1ccc(C(C)C)cc1-c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1
InChIInChI=1S/C24H21Cl2NO3.2CH4/c1-13(2)15-5-4-14(3)19(10-15)16-6-9-22(20(11-16)24(29)30)27-23(28)18-8-7-17(25)12-21(18)26;;/h4-13H,1-3H3,(H,27,28)(H,29,30);2*1H4
InChIKeyIMOCDKJHNMFNBF-UHFFFAOYSA-N
XLogP8.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.43
LogP ≤ 58.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dichlorobenzoyl)amino]-5-(2-methoxy-5-propan-2-ylphenyl)benzoic acid
CID 10276187
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45433715
2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid
CID 10183146
2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid
CID 10227538
2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid
CID 10270857
2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 5057994
2,4-dichloro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 849254
5-(2,4-dichlorophenyl)-2-methylbenzoic acid
CID 65307021
2,5-dichloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 23766476
2-[(2,4-dichlorobenzoyl)amino]-5-phenylbenzoate
CID 59060344
2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43915384

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-(2-methyl-5-propan-2-ylphenyl)benzoic acid;methane?
The IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-(2-methyl-5-propan-2-ylphenyl)benzoic acid;methane (CID 158743170) is 2-[(2,4-dichlorobenzoyl)amino]-5-(2-methyl-5-propan-2-ylphenyl)benzoic acid;methane.
What is the SMILES notation for 2-[(2,4-dichlorobenzoyl)amino]-5-(2-methyl-5-propan-2-ylphenyl)benzoic acid;methane?
The canonical SMILES for 2-[(2,4-dichlorobenzoyl)amino]-5-(2-methyl-5-propan-2-ylphenyl)benzoic acid;methane is C.C.Cc1ccc(C(C)C)cc1-c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1.
What is the InChIKey of 2-[(2,4-dichlorobenzoyl)amino]-5-(2-methyl-5-propan-2-ylphenyl)benzoic acid;methane?
The InChIKey is IMOCDKJHNMFNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NO3.2CH4/c1-13(2)15-5-4-14(3)19(10-15)16-6-9-22(20(11-16)24(29)30)27-23(28)18-8-7-17(25)12-21(18)26;;/h4-13H,1-3H3,(H,27,28)(H,29,30);2*1H4.
What are the key properties of 2-[(2,4-dichlorobenzoyl)amino]-5-(2-methyl-5-propan-2-ylphenyl)benzoic acid;methane?
2-[(2,4-dichlorobenzoyl)amino]-5-(2-methyl-5-propan-2-ylphenyl)benzoic acid;methane has a molecular weight of 474.43 g/mol, XLogP of 8.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorobenzoyl)amino]-5-(2-methyl-5-propan-2-ylphenyl)benzoic acid;methane is sourced from PubChem (CID 158743170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).