methyl 2-[(3-benzoyl-1-benzylindol-4-yl)amino]-5-chlorobenzoate

C30H23ClN2O3 — CID 90152699

IUPACmethyl 2-[(3-benzoyl-1-benzylindol-4-yl)amino]-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)ccc1Nc1cccc2c1c(C(=O)c1ccccc1)cn2Cc1ccccc1
InChIInChI=1S/C30H23ClN2O3/c1-36-30(35)23-17-22(31)15-16-25(23)32-26-13-8-14-27-28(26)24(29(34)21-11-6-3-7-12-21)19-33(27)18-20-9-4-2-5-10-20/h2-17,19,32H,18H2,1H3
InChIKeyGFECEHDBKMRCQJ-UHFFFAOYSA-N
MW494.98 g/mol
LogP7.10
Rot. Bonds7

About methyl 2-[(3-benzoyl-1-benzylindol-4-yl)amino]-5-chlorobenzoate

methyl 2-[(3-benzoyl-1-benzylindol-4-yl)amino]-5-chlorobenzoate (PubChem CID 90152699) has the molecular formula C30H23ClN2O3 and a molecular weight of 494.98 g/mol. Its IUPAC name is methyl 2-[(3-benzoyl-1-benzylindol-4-yl)amino]-5-chlorobenzoate.

Molecular Properties

Compound Namemethyl 2-[(3-benzoyl-1-benzylindol-4-yl)amino]-5-chlorobenzoate
PubChem CID90152699
Molecular FormulaC30H23ClN2O3
Molecular Weight494.98 g/mol
Exact Mass494.14
IUPAC Namemethyl 2-[(3-benzoyl-1-benzylindol-4-yl)amino]-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)ccc1Nc1cccc2c1c(C(=O)c1ccccc1)cn2Cc1ccccc1
InChIInChI=1S/C30H23ClN2O3/c1-36-30(35)23-17-22(31)15-16-25(23)32-26-13-8-14-27-28(26)24(29(34)21-11-6-3-7-12-21)19-33(27)18-20-9-4-2-5-10-20/h2-17,19,32H,18H2,1H3
InChIKeyGFECEHDBKMRCQJ-UHFFFAOYSA-N
XLogP7.10
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.98
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-amino-1-benzylindol-3-yl)-phenylmethanone;methyl 2-[(3-benzoyl-1-benzylindol-5-yl)methyl]-5-chlorobenzoate
CID 160687430
methyl 1-benzyl-3-[(E)-2-nitroethenyl]indole-4-carboxylate
CID 19734234
1-benzyl-4-methoxyindole-3-carboxylic acid
CID 23073203
[5-chloro-2-(methoxyamino)phenyl]-phenylmethanone
CID 145356956
methyl 5-chloro-2-(3-phenylpropanoylamino)benzoate
CID 171988189
methyl 5-chloro-2-(1H-indol-4-ylamino)benzoate
CID 90152576
methyl 2-[(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]-5-chlorobenzoate
CID 90153145
methyl 2-[3-(2-amino-2-oxoethyl)-1-benzylindol-4-yl]-2-oxoacetate
CID 67726836
[5-chloro-2-(prop-2-ynylamino)phenyl]-phenylmethanone
CID 528283
1-benzyl-3-(3,4-dimethoxybenzoyl)quinolin-4-one
CID 2137046
[2-(3-amino-2,5-dimethoxyanilino)-5-chlorophenyl]-phenylmethanone
CID 170451906
methyl 4-benzoyl-1-benzyl-6-chloro-2-oxoquinoline-3-carboxylate
CID 132536891

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-benzoyl-1-benzylindol-4-yl)amino]-5-chlorobenzoate?
The IUPAC name of methyl 2-[(3-benzoyl-1-benzylindol-4-yl)amino]-5-chlorobenzoate (CID 90152699) is methyl 2-[(3-benzoyl-1-benzylindol-4-yl)amino]-5-chlorobenzoate.
What is the SMILES notation for methyl 2-[(3-benzoyl-1-benzylindol-4-yl)amino]-5-chlorobenzoate?
The canonical SMILES for methyl 2-[(3-benzoyl-1-benzylindol-4-yl)amino]-5-chlorobenzoate is COC(=O)c1cc(Cl)ccc1Nc1cccc2c1c(C(=O)c1ccccc1)cn2Cc1ccccc1.
What is the InChIKey of methyl 2-[(3-benzoyl-1-benzylindol-4-yl)amino]-5-chlorobenzoate?
The InChIKey is GFECEHDBKMRCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClN2O3/c1-36-30(35)23-17-22(31)15-16-25(23)32-26-13-8-14-27-28(26)24(29(34)21-11-6-3-7-12-21)19-33(27)18-20-9-4-2-5-10-20/h2-17,19,32H,18H2,1H3.
What are the key properties of methyl 2-[(3-benzoyl-1-benzylindol-4-yl)amino]-5-chlorobenzoate?
methyl 2-[(3-benzoyl-1-benzylindol-4-yl)amino]-5-chlorobenzoate has a molecular weight of 494.98 g/mol, XLogP of 7.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-benzoyl-1-benzylindol-4-yl)amino]-5-chlorobenzoate is sourced from PubChem (CID 90152699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).