methyl 2-[(3,5-dichlorobenzoyl)amino]-4-phenylbenzoate

C21H15Cl2NO3 — CID 146601280

IUPACmethyl 2-[(3,5-dichlorobenzoyl)amino]-4-phenylbenzoate
SMILESCOC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H15Cl2NO3/c1-27-21(26)18-8-7-14(13-5-3-2-4-6-13)11-19(18)24-20(25)15-9-16(22)12-17(23)10-15/h2-12H,1H3,(H,24,25)
InChIKeyJAAXKOHROILAON-UHFFFAOYSA-N
MW400.26 g/mol
LogP5.70
Rot. Bonds4

About methyl 2-[(3,5-dichlorobenzoyl)amino]-4-phenylbenzoate

methyl 2-[(3,5-dichlorobenzoyl)amino]-4-phenylbenzoate (PubChem CID 146601280) has the molecular formula C21H15Cl2NO3 and a molecular weight of 400.26 g/mol. Its IUPAC name is methyl 2-[(3,5-dichlorobenzoyl)amino]-4-phenylbenzoate.

Molecular Properties

Compound Namemethyl 2-[(3,5-dichlorobenzoyl)amino]-4-phenylbenzoate
PubChem CID146601280
Molecular FormulaC21H15Cl2NO3
Molecular Weight400.26 g/mol
Exact Mass399.04
IUPAC Namemethyl 2-[(3,5-dichlorobenzoyl)amino]-4-phenylbenzoate
SMILESCOC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H15Cl2NO3/c1-27-21(26)18-8-7-14(13-5-3-2-4-6-13)11-19(18)24-20(25)15-9-16(22)12-17(23)10-15/h2-12H,1H3,(H,24,25)
InChIKeyJAAXKOHROILAON-UHFFFAOYSA-N
XLogP5.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.26
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-benzamido-4-(3-chlorophenyl)benzenecarboperoxoate
CID 174535068
2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid
CID 174641958
3-chloro-N-(2-hydroxy-5-phenylphenyl)benzamide
CID 4592773
2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid
CID 67344063
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853577
methyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate
CID 35248663
methyl 2-amino-4-phenylbenzoate
CID 53412316
methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate
CID 103763170
2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid
CID 87408033
methyl 4-chloro-2-[(3-nitrobenzoyl)amino]benzoate
CID 17409028
2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid
CID 7209741
2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid
CID 67341971

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-dichlorobenzoyl)amino]-4-phenylbenzoate?
The IUPAC name of methyl 2-[(3,5-dichlorobenzoyl)amino]-4-phenylbenzoate (CID 146601280) is methyl 2-[(3,5-dichlorobenzoyl)amino]-4-phenylbenzoate.
What is the SMILES notation for methyl 2-[(3,5-dichlorobenzoyl)amino]-4-phenylbenzoate?
The canonical SMILES for methyl 2-[(3,5-dichlorobenzoyl)amino]-4-phenylbenzoate is COC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl 2-[(3,5-dichlorobenzoyl)amino]-4-phenylbenzoate?
The InChIKey is JAAXKOHROILAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2NO3/c1-27-21(26)18-8-7-14(13-5-3-2-4-6-13)11-19(18)24-20(25)15-9-16(22)12-17(23)10-15/h2-12H,1H3,(H,24,25).
What are the key properties of methyl 2-[(3,5-dichlorobenzoyl)amino]-4-phenylbenzoate?
methyl 2-[(3,5-dichlorobenzoyl)amino]-4-phenylbenzoate has a molecular weight of 400.26 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,5-dichlorobenzoyl)amino]-4-phenylbenzoate is sourced from PubChem (CID 146601280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).