methyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate

C23H21ClN2O4 — CID 55762087

IUPACmethyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)ccc1Cl
InChIInChI=1S/C23H21ClN2O4/c1-14-9-17(10-15(2)21(14)30-13-16-5-4-8-25-12-16)22(27)26-18-6-7-20(24)19(11-18)23(28)29-3/h4-12H,13H2,1-3H3,(H,26,27)
InChIKeyHJJYSQQMQHEQDU-UHFFFAOYSA-N
MW424.88 g/mol
LogP4.97
Rot. Bonds6

About methyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate

methyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate (PubChem CID 55762087) has the molecular formula C23H21ClN2O4 and a molecular weight of 424.88 g/mol. Its IUPAC name is methyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate
PubChem CID55762087
Molecular FormulaC23H21ClN2O4
Molecular Weight424.88 g/mol
Exact Mass424.12
IUPAC Namemethyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)ccc1Cl
InChIInChI=1S/C23H21ClN2O4/c1-14-9-17(10-15(2)21(14)30-13-16-5-4-8-25-12-16)22(27)26-18-6-7-20(24)19(11-18)23(28)29-3/h4-12H,13H2,1-3H3,(H,26,27)
InChIKeyHJJYSQQMQHEQDU-UHFFFAOYSA-N
XLogP4.97
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate with MolForge

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Related Compounds

N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide
CID 55691668
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 75370477
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55699320
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55761729
N-(2,4-dimethoxyphenyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 39709892
methyl 2-chloro-5-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzoate
CID 55671008
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55690549
3,5-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 55859602
methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682617

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate (CID 55762087) is methyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate is COC(=O)c1cc(NC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate?
The InChIKey is HJJYSQQMQHEQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4/c1-14-9-17(10-15(2)21(14)30-13-16-5-4-8-25-12-16)22(27)26-18-6-7-20(24)19(11-18)23(28)29-3/h4-12H,13H2,1-3H3,(H,26,27).
What are the key properties of methyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate?
methyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate has a molecular weight of 424.88 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate is sourced from PubChem (CID 55762087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).