ethyl 4-[(2,6-dichlorophenyl)methyl-(3-propan-2-yloxybenzoyl)amino]benzoate

C26H25Cl2NO4 — CID 23098556

IUPACethyl 4-[(2,6-dichlorophenyl)methyl-(3-propan-2-yloxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C26H25Cl2NO4/c1-4-32-26(31)18-11-13-20(14-12-18)29(16-22-23(27)9-6-10-24(22)28)25(30)19-7-5-8-21(15-19)33-17(2)3/h5-15,17H,4,16H2,1-3H3
InChIKeyOANZVZSSZHLWBY-UHFFFAOYSA-N
MW486.40 g/mol
LogP6.80
Rot. Bonds8

About ethyl 4-[(2,6-dichlorophenyl)methyl-(3-propan-2-yloxybenzoyl)amino]benzoate

ethyl 4-[(2,6-dichlorophenyl)methyl-(3-propan-2-yloxybenzoyl)amino]benzoate (PubChem CID 23098556) has the molecular formula C26H25Cl2NO4 and a molecular weight of 486.40 g/mol. Its IUPAC name is ethyl 4-[(2,6-dichlorophenyl)methyl-(3-propan-2-yloxybenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2,6-dichlorophenyl)methyl-(3-propan-2-yloxybenzoyl)amino]benzoate
PubChem CID23098556
Molecular FormulaC26H25Cl2NO4
Molecular Weight486.40 g/mol
Exact Mass485.12
IUPAC Nameethyl 4-[(2,6-dichlorophenyl)methyl-(3-propan-2-yloxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C26H25Cl2NO4/c1-4-32-26(31)18-11-13-20(14-12-18)29(16-22-23(27)9-6-10-24(22)28)25(30)19-7-5-8-21(15-19)33-17(2)3/h5-15,17H,4,16H2,1-3H3
InChIKeyOANZVZSSZHLWBY-UHFFFAOYSA-N
XLogP6.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.40
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(2,6-dichlorophenyl)methyl-(3-propan-2-yloxybenzoyl)amino]benzoate with MolForge

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Related Compounds

ethyl 4-[(2,6-dichlorophenyl)methyl-(thiophene-2-carbonyl)amino]benzoate
CID 22780012
ethyl 4-[(2,4-dichlorophenyl)methyl-[(3-propan-2-yloxybenzoyl)carbamothioyl]amino]benzoate
CID 21169280
ethyl 4-[(2,6-dichlorophenyl)methyl-[(E)-3-phenylprop-2-enoyl]amino]benzoate
CID 22783001
ethyl 4-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]benzoate
CID 23098555
ethyl 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]-[(2,6-dichlorophenyl)methyl]amino]benzoate
CID 23098892
ethyl 4-[(3-chlorobenzoyl)-(pyridin-4-ylmethyl)amino]benzoate
CID 19630476
ethyl 4-[(3-ethoxybenzoyl)-(pyridin-3-ylmethyl)amino]benzoate
CID 19631305
ethyl 3-[(2R)-butan-2-yl]oxybenzoate
CID 139830028
ethyl 4-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-[(2,6-dichlorophenyl)methyl]amino]benzoate
CID 21170282
ethyl 4-[[(E)-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]-[(2,6-dichlorophenyl)methyl]amino]benzoate
CID 21172360
ethyl 2-chloro-4-propan-2-yloxybenzoate
CID 82551782
ethyl 4-[(2-chlorobenzoyl)-[(1,3-dioxoisoindol-2-yl)methyl]amino]benzoate
CID 3959049

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,6-dichlorophenyl)methyl-(3-propan-2-yloxybenzoyl)amino]benzoate?
The IUPAC name of ethyl 4-[(2,6-dichlorophenyl)methyl-(3-propan-2-yloxybenzoyl)amino]benzoate (CID 23098556) is ethyl 4-[(2,6-dichlorophenyl)methyl-(3-propan-2-yloxybenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(2,6-dichlorophenyl)methyl-(3-propan-2-yloxybenzoyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(2,6-dichlorophenyl)methyl-(3-propan-2-yloxybenzoyl)amino]benzoate is CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cccc(OC(C)C)c2)cc1.
What is the InChIKey of ethyl 4-[(2,6-dichlorophenyl)methyl-(3-propan-2-yloxybenzoyl)amino]benzoate?
The InChIKey is OANZVZSSZHLWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2NO4/c1-4-32-26(31)18-11-13-20(14-12-18)29(16-22-23(27)9-6-10-24(22)28)25(30)19-7-5-8-21(15-19)33-17(2)3/h5-15,17H,4,16H2,1-3H3.
What are the key properties of ethyl 4-[(2,6-dichlorophenyl)methyl-(3-propan-2-yloxybenzoyl)amino]benzoate?
ethyl 4-[(2,6-dichlorophenyl)methyl-(3-propan-2-yloxybenzoyl)amino]benzoate has a molecular weight of 486.40 g/mol, XLogP of 6.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,6-dichlorophenyl)methyl-(3-propan-2-yloxybenzoyl)amino]benzoate is sourced from PubChem (CID 23098556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).