[2-[(4-chloro-2-methoxybenzoyl)amino]-5-(trifluoromethyl)phenyl] 4-chloro-2-methoxybenzoate

C23H16Cl2F3NO5 — CID 70691202

IUPAC[2-[(4-chloro-2-methoxybenzoyl)amino]-5-(trifluoromethyl)phenyl] 4-chloro-2-methoxybenzoate
SMILESCOc1cc(Cl)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1OC(=O)c1ccc(Cl)cc1OC
InChIInChI=1S/C23H16Cl2F3NO5/c1-32-18-10-13(24)4-6-15(18)21(30)29-17-8-3-12(23(26,27)28)9-20(17)34-22(31)16-7-5-14(25)11-19(16)33-2/h3-11H,1-2H3,(H,29,30)
InChIKeyBBOAWYFUQIIWJM-UHFFFAOYSA-N
MW514.28 g/mol
LogP6.50
Rot. Bonds6

About [2-[(4-chloro-2-methoxybenzoyl)amino]-5-(trifluoromethyl)phenyl] 4-chloro-2-methoxybenzoate

[2-[(4-chloro-2-methoxybenzoyl)amino]-5-(trifluoromethyl)phenyl] 4-chloro-2-methoxybenzoate (PubChem CID 70691202) has the molecular formula C23H16Cl2F3NO5 and a molecular weight of 514.28 g/mol. Its IUPAC name is [2-[(4-chloro-2-methoxybenzoyl)amino]-5-(trifluoromethyl)phenyl] 4-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name[2-[(4-chloro-2-methoxybenzoyl)amino]-5-(trifluoromethyl)phenyl] 4-chloro-2-methoxybenzoate
PubChem CID70691202
Molecular FormulaC23H16Cl2F3NO5
Molecular Weight514.28 g/mol
Exact Mass513.04
IUPAC Name[2-[(4-chloro-2-methoxybenzoyl)amino]-5-(trifluoromethyl)phenyl] 4-chloro-2-methoxybenzoate
SMILESCOc1cc(Cl)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1OC(=O)c1ccc(Cl)cc1OC
InChIInChI=1S/C23H16Cl2F3NO5/c1-32-18-10-13(24)4-6-15(18)21(30)29-17-8-3-12(23(26,27)28)9-20(17)34-22(31)16-7-5-14(25)11-19(16)33-2/h3-11H,1-2H3,(H,29,30)
InChIKeyBBOAWYFUQIIWJM-UHFFFAOYSA-N
XLogP6.50
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.28
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methoxy-4-(trifluoromethyl)benzoate
CID 24728010
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 871827
N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 16775181
(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970683
methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
CID 2440555
N-(2-acetamido-5-bromophenyl)-4-chloro-2-methoxybenzamide
CID 52851584
N-[2-(aminomethyl)phenyl]-4-chloro-2-methoxybenzamide
CID 64882519
4-chloro-N-(4-iodophenyl)-2-methoxybenzamide
CID 47421842
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
CID 103811009
2-[(2-methoxybenzoyl)amino]-4-(trifluoromethyl)benzamide
CID 59299610
N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]-2,4-dimethoxybenzamide
CID 17335722

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chloro-2-methoxybenzoyl)amino]-5-(trifluoromethyl)phenyl] 4-chloro-2-methoxybenzoate?
The IUPAC name of [2-[(4-chloro-2-methoxybenzoyl)amino]-5-(trifluoromethyl)phenyl] 4-chloro-2-methoxybenzoate (CID 70691202) is [2-[(4-chloro-2-methoxybenzoyl)amino]-5-(trifluoromethyl)phenyl] 4-chloro-2-methoxybenzoate.
What is the SMILES notation for [2-[(4-chloro-2-methoxybenzoyl)amino]-5-(trifluoromethyl)phenyl] 4-chloro-2-methoxybenzoate?
The canonical SMILES for [2-[(4-chloro-2-methoxybenzoyl)amino]-5-(trifluoromethyl)phenyl] 4-chloro-2-methoxybenzoate is COc1cc(Cl)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1OC(=O)c1ccc(Cl)cc1OC.
What is the InChIKey of [2-[(4-chloro-2-methoxybenzoyl)amino]-5-(trifluoromethyl)phenyl] 4-chloro-2-methoxybenzoate?
The InChIKey is BBOAWYFUQIIWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2F3NO5/c1-32-18-10-13(24)4-6-15(18)21(30)29-17-8-3-12(23(26,27)28)9-20(17)34-22(31)16-7-5-14(25)11-19(16)33-2/h3-11H,1-2H3,(H,29,30).
What are the key properties of [2-[(4-chloro-2-methoxybenzoyl)amino]-5-(trifluoromethyl)phenyl] 4-chloro-2-methoxybenzoate?
[2-[(4-chloro-2-methoxybenzoyl)amino]-5-(trifluoromethyl)phenyl] 4-chloro-2-methoxybenzoate has a molecular weight of 514.28 g/mol, XLogP of 6.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chloro-2-methoxybenzoyl)amino]-5-(trifluoromethyl)phenyl] 4-chloro-2-methoxybenzoate is sourced from PubChem (CID 70691202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).