methyl 5-chloro-2-[(1-methyl-5-phenylindole-2-carbonyl)amino]benzoate

C24H19ClN2O3 — CID 66680418

IUPACmethyl 5-chloro-2-[(1-methyl-5-phenylindole-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC(=O)c1cc2cc(-c3ccccc3)ccc2n1C
InChIInChI=1S/C24H19ClN2O3/c1-27-21-11-8-16(15-6-4-3-5-7-15)12-17(21)13-22(27)23(28)26-20-10-9-18(25)14-19(20)24(29)30-2/h3-14H,1-2H3,(H,26,28)
InChIKeyLBQFQMFUAJFOMY-UHFFFAOYSA-N
MW418.88 g/mol
LogP5.54
Rot. Bonds4

About methyl 5-chloro-2-[(1-methyl-5-phenylindole-2-carbonyl)amino]benzoate

methyl 5-chloro-2-[(1-methyl-5-phenylindole-2-carbonyl)amino]benzoate (PubChem CID 66680418) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is methyl 5-chloro-2-[(1-methyl-5-phenylindole-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-[(1-methyl-5-phenylindole-2-carbonyl)amino]benzoate
PubChem CID66680418
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC Namemethyl 5-chloro-2-[(1-methyl-5-phenylindole-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC(=O)c1cc2cc(-c3ccccc3)ccc2n1C
InChIInChI=1S/C24H19ClN2O3/c1-27-21-11-8-16(15-6-4-3-5-7-15)12-17(21)13-22(27)23(28)26-20-10-9-18(25)14-19(20)24(29)30-2/h3-14H,1-2H3,(H,26,28)
InChIKeyLBQFQMFUAJFOMY-UHFFFAOYSA-N
XLogP5.54
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.88
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-chloro-1-methylindole-2-carboxylate
CID 4777715
N-(5-chloro-2-hydroxyphenyl)-1-methylindole-2-carboxamide
CID 56581495
methyl 2-[(3,5-dichlorobenzoyl)amino]-4-phenylbenzoate
CID 146601280
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
5-methoxy-1-methyl-N-phenylindole-2-carboxamide
CID 10707870
methyl 3-acetamido-6-phenylnaphthalene-2-carboxylate
CID 58646768
methyl 5-chloro-2-(3-phenylpropanoylamino)benzoate
CID 171988189
methyl 5-chloro-2-[[2-[2-[3-(4-fluorophenyl)anilino]-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 66877283
methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-chlorobenzoate
CID 47249749
methyl 2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoate
CID 66462125
2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid
CID 10183146
2-[(2,4-dichlorobenzoyl)amino]-5-phenylbenzoate
CID 59060344

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-[(1-methyl-5-phenylindole-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 5-chloro-2-[(1-methyl-5-phenylindole-2-carbonyl)amino]benzoate (CID 66680418) is methyl 5-chloro-2-[(1-methyl-5-phenylindole-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 5-chloro-2-[(1-methyl-5-phenylindole-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 5-chloro-2-[(1-methyl-5-phenylindole-2-carbonyl)amino]benzoate is COC(=O)c1cc(Cl)ccc1NC(=O)c1cc2cc(-c3ccccc3)ccc2n1C.
What is the InChIKey of methyl 5-chloro-2-[(1-methyl-5-phenylindole-2-carbonyl)amino]benzoate?
The InChIKey is LBQFQMFUAJFOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c1-27-21-11-8-16(15-6-4-3-5-7-15)12-17(21)13-22(27)23(28)26-20-10-9-18(25)14-19(20)24(29)30-2/h3-14H,1-2H3,(H,26,28).
What are the key properties of methyl 5-chloro-2-[(1-methyl-5-phenylindole-2-carbonyl)amino]benzoate?
methyl 5-chloro-2-[(1-methyl-5-phenylindole-2-carbonyl)amino]benzoate has a molecular weight of 418.88 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-[(1-methyl-5-phenylindole-2-carbonyl)amino]benzoate is sourced from PubChem (CID 66680418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).