methyl 2-[(2,5-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate

C19H16Cl2N2O3 — CID 75130384

IUPACmethyl 2-[(2,5-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
SMILESCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H16Cl2N2O3/c1-26-19(25)17(8-11-10-22-16-5-3-2-4-13(11)16)23-18(24)14-9-12(20)6-7-15(14)21/h2-7,9-10,17,22H,8H2,1H3,(H,23,24)
InChIKeyISHPPFBFKZLKJW-UHFFFAOYSA-N
MW391.25 g/mol
LogP3.99
Rot. Bonds5

About methyl 2-[(2,5-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate

methyl 2-[(2,5-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate (PubChem CID 75130384) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is methyl 2-[(2,5-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
PubChem CID75130384
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Namemethyl 2-[(2,5-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
SMILESCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H16Cl2N2O3/c1-26-19(25)17(8-11-10-22-16-5-3-2-4-13(11)16)23-18(24)14-9-12(20)6-7-15(14)21/h2-7,9-10,17,22H,8H2,1H3,(H,23,24)
InChIKeyISHPPFBFKZLKJW-UHFFFAOYSA-N
XLogP3.99
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2,4-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 3111811
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 40819780
methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
CID 644217
methyl (2S)-3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate
CID 7018187
methyl (2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 9229575
methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 6923544
methyl (2S)-3-(1H-indol-3-yl)-2-[(4-phenylbenzoyl)amino]propanoate
CID 7036310
methyl 2-[(4-aminobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 22418639
methyl (2R)-2-[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 154832535
(2S)-2-[(4-chloro-2-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 45339906
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]azanium
CID 8599132
methyl (2S)-2-[[3-acetyloxy-5-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 11146575

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate?
The IUPAC name of methyl 2-[(2,5-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate (CID 75130384) is methyl 2-[(2,5-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for methyl 2-[(2,5-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate?
The canonical SMILES for methyl 2-[(2,5-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate is COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of methyl 2-[(2,5-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate?
The InChIKey is ISHPPFBFKZLKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-26-19(25)17(8-11-10-22-16-5-3-2-4-13(11)16)23-18(24)14-9-12(20)6-7-15(14)21/h2-7,9-10,17,22H,8H2,1H3,(H,23,24).
What are the key properties of methyl 2-[(2,5-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate?
methyl 2-[(2,5-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate has a molecular weight of 391.25 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 75130384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).