methyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate

C22H23Cl2NO4 — CID 100747148

IUPACmethyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate
SMILESCOC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)ccc1OC
InChIInChI=1S/C22H23Cl2NO4/c1-28-19-9-7-15(13-16(19)20(26)29-2)25-21(27)22(10-4-3-5-11-22)17-8-6-14(23)12-18(17)24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,25,27)
InChIKeyZTZWSIWWKTVDAJ-UHFFFAOYSA-N
MW436.34 g/mol
LogP5.63
Rot. Bonds5

About methyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate

methyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate (PubChem CID 100747148) has the molecular formula C22H23Cl2NO4 and a molecular weight of 436.34 g/mol. Its IUPAC name is methyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate
PubChem CID100747148
Molecular FormulaC22H23Cl2NO4
Molecular Weight436.34 g/mol
Exact Mass435.10
IUPAC Namemethyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate
SMILESCOC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)ccc1OC
InChIInChI=1S/C22H23Cl2NO4/c1-28-19-9-7-15(13-16(19)20(26)29-2)25-21(27)22(10-4-3-5-11-22)17-8-6-14(23)12-18(17)24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,25,27)
InChIKeyZTZWSIWWKTVDAJ-UHFFFAOYSA-N
XLogP5.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.34
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate with MolForge

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Related Compounds

methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745550
ethyl 2-butoxy-5-[[1-(2,4-dichlorophenyl)cyclopentanecarbonyl]amino]benzoate
CID 100743761
N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100668194
methyl 5-[[4-(2,4-dichlorophenyl)oxane-4-carbonyl]amino]-2-(2-methylpropoxy)benzoate
CID 100749856
1-(2,4-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771662
methyl 2-butan-2-yloxy-5-[[4-(2,4-dichlorophenyl)oxane-4-carbonyl]amino]benzoate
CID 133229655
4-(2,4-dichlorophenyl)-N-(4-methoxy-3-methylphenyl)oxane-4-carboxamide
CID 95163453
methyl 2-methoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 100744030
1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide
CID 100676610
methyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate
CID 100748813
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100667929
ethyl 5-[[4-(2,4-dichlorophenyl)oxane-4-carbonyl]amino]-2-propoxybenzoate
CID 100749887

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate?
The IUPAC name of methyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate (CID 100747148) is methyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate is COC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)ccc1OC.
What is the InChIKey of methyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate?
The InChIKey is ZTZWSIWWKTVDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2NO4/c1-28-19-9-7-15(13-16(19)20(26)29-2)25-21(27)22(10-4-3-5-11-22)17-8-6-14(23)12-18(17)24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,25,27).
What are the key properties of methyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate?
methyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate has a molecular weight of 436.34 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate is sourced from PubChem (CID 100747148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).