methyl (3R)-3-(3-bromophenyl)-3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoate

C19H16BrClN2O3 — CID 166373423

IUPACmethyl (3R)-3-(3-bromophenyl)-3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoate
SMILESCOC(=O)C[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1cccc(Br)c1
InChIInChI=1S/C19H16BrClN2O3/c1-26-18(24)10-16(11-3-2-4-13(20)7-11)23-19(25)17-8-12-5-6-14(21)9-15(12)22-17/h2-9,16,22H,10H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeyYZECWNPHEWEFFT-MRXNPFEDSA-N
MW435.71 g/mol
LogP4.62
Rot. Bonds5

About methyl (3R)-3-(3-bromophenyl)-3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoate

methyl (3R)-3-(3-bromophenyl)-3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoate (PubChem CID 166373423) has the molecular formula C19H16BrClN2O3 and a molecular weight of 435.71 g/mol. Its IUPAC name is methyl (3R)-3-(3-bromophenyl)-3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(3-bromophenyl)-3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoate
PubChem CID166373423
Molecular FormulaC19H16BrClN2O3
Molecular Weight435.71 g/mol
Exact Mass434.00
IUPAC Namemethyl (3R)-3-(3-bromophenyl)-3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoate
SMILESCOC(=O)C[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1cccc(Br)c1
InChIInChI=1S/C19H16BrClN2O3/c1-26-18(24)10-16(11-3-2-4-13(20)7-11)23-19(25)17-8-12-5-6-14(21)9-15(12)22-17/h2-9,16,22H,10H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeyYZECWNPHEWEFFT-MRXNPFEDSA-N
XLogP4.62
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.71
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl (3R)-3-(3-bromophenyl)-3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoate with MolForge

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Related Compounds

3-(3-bromophenyl)-3-[(6-methyl-1H-indole-2-carbonyl)amino]propanoic acid
CID 119192479
(3R)-3-(3-bromophenyl)-3-[(6-methyl-1H-indole-2-carbonyl)amino]propanoic acid
CID 124699211
6-chloro-N-[1-(3-nitrophenyl)propyl]-1H-indole-2-carboxamide
CID 166373427
methyl 3-[(5-methyl-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
CID 46549528
methyl 3-(3-aminobutanoylamino)-3-(3-bromophenyl)propanoate;hydrochloride
CID 119750804
methyl 3-[(5-bromo-2-fluorobenzoyl)amino]-3-(4-chlorophenyl)propanoate
CID 55439318
methyl 3-(3-bromophenyl)-3-[[2-(2-methoxyethylamino)acetyl]amino]propanoate;hydrochloride
CID 119750810
methyl 3-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-3-(3-bromophenyl)propanoate
CID 119750803
methyl 3-[(2-amino-3-methoxypropanoyl)amino]-3-(3-bromophenyl)propanoate
CID 120987190
6-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide
CID 166189903
methyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]-4-phenylbutanoate
CID 70120137
methyl 3-(4-bromophenyl)-3-[(5-chloro-2-hydroxybenzoyl)amino]propanoate
CID 68869406

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(3-bromophenyl)-3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoate?
The IUPAC name of methyl (3R)-3-(3-bromophenyl)-3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoate (CID 166373423) is methyl (3R)-3-(3-bromophenyl)-3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (3R)-3-(3-bromophenyl)-3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl (3R)-3-(3-bromophenyl)-3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoate is COC(=O)C[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1cccc(Br)c1.
What is the InChIKey of methyl (3R)-3-(3-bromophenyl)-3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoate?
The InChIKey is YZECWNPHEWEFFT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16BrClN2O3/c1-26-18(24)10-16(11-3-2-4-13(20)7-11)23-19(25)17-8-12-5-6-14(21)9-15(12)22-17/h2-9,16,22H,10H2,1H3,(H,23,25)/t16-/m1/s1.
What are the key properties of methyl (3R)-3-(3-bromophenyl)-3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoate?
methyl (3R)-3-(3-bromophenyl)-3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoate has a molecular weight of 435.71 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(3-bromophenyl)-3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoate is sourced from PubChem (CID 166373423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).