methyl 2-[(3-bromo-5-fluoro-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate

C19H17BrFNO4 — CID 67076634

IUPACmethyl 2-[(3-bromo-5-fluoro-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cc(F)c(OC)c(Br)c2)Cc2ccccc2C1
InChIInChI=1S/C19H17BrFNO4/c1-25-16-14(20)7-13(8-15(16)21)17(23)22-19(18(24)26-2)9-11-5-3-4-6-12(11)10-19/h3-8H,9-10H2,1-2H3,(H,22,23)
InChIKeyQFIARJJHPPUPLB-UHFFFAOYSA-N
MW422.25 g/mol
LogP3.04
Rot. Bonds4

About methyl 2-[(3-bromo-5-fluoro-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate

methyl 2-[(3-bromo-5-fluoro-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate (PubChem CID 67076634) has the molecular formula C19H17BrFNO4 and a molecular weight of 422.25 g/mol. Its IUPAC name is methyl 2-[(3-bromo-5-fluoro-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-bromo-5-fluoro-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate
PubChem CID67076634
Molecular FormulaC19H17BrFNO4
Molecular Weight422.25 g/mol
Exact Mass421.03
IUPAC Namemethyl 2-[(3-bromo-5-fluoro-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cc(F)c(OC)c(Br)c2)Cc2ccccc2C1
InChIInChI=1S/C19H17BrFNO4/c1-25-16-14(20)7-13(8-15(16)21)17(23)22-19(18(24)26-2)9-11-5-3-4-6-12(11)10-19/h3-8H,9-10H2,1-2H3,(H,22,23)
InChIKeyQFIARJJHPPUPLB-UHFFFAOYSA-N
XLogP3.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(3-bromo-5-fluoro-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate with MolForge

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Related Compounds

2-(4-Difluoromethoxy-2-methyl-benzoylamino)-indan-2-carboxylic acid
CID 59314286
2-(4-Difluoromethoxy-2-methyl-benzoylamino)-indan-2-carboxylic acid ethyl ester
CID 59314384
2-[[3-Fluoro-4-methoxy-5-(3-propan-2-ylphenyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67239926
Ethyl 5-bromo-2-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylate
CID 68667290
Methyl 1-(3-bromophenyl)-6-methoxy-3-oxoisoindoline-1-carboxylate
CID 176522443
2-[[4-(Difluoromethoxy)-2-methylbenzoyl]amino]-1-ethyl-1,3-dihydroindene-2-carboxylic acid
CID 162131708
1-[[2-(3-Bromophenyl)-2,2-difluoroacetyl]amino]-4-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 166339860
3-bromo-N-(2,3-dihydro-1H-inden-2-yl)-4-methoxybenzamide
CID 21921024
2-(3-Bromo-4-methoxy-benzoylamino)-indane-2-carboxylic acid methyl ester
CID 67076330
2-[4-Bromo-3-(2-m-tolyl-ethoxy)-benzoylamino]-indane-2-carboxylic acid methyl ester
CID 67076435
3-Bromo-4-methoxybenzoic acid;methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate
CID 67076494
Methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-1-(3-bromo-4-methoxybenzoyl)oxy-1,3-dihydroindene-2-carboxylate
CID 67076495

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-bromo-5-fluoro-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate?
The IUPAC name of methyl 2-[(3-bromo-5-fluoro-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate (CID 67076634) is methyl 2-[(3-bromo-5-fluoro-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for methyl 2-[(3-bromo-5-fluoro-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for methyl 2-[(3-bromo-5-fluoro-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate is COC(=O)C1(NC(=O)c2cc(F)c(OC)c(Br)c2)Cc2ccccc2C1.
What is the InChIKey of methyl 2-[(3-bromo-5-fluoro-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate?
The InChIKey is QFIARJJHPPUPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFNO4/c1-25-16-14(20)7-13(8-15(16)21)17(23)22-19(18(24)26-2)9-11-5-3-4-6-12(11)10-19/h3-8H,9-10H2,1-2H3,(H,22,23).
What are the key properties of methyl 2-[(3-bromo-5-fluoro-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate?
methyl 2-[(3-bromo-5-fluoro-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate has a molecular weight of 422.25 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-bromo-5-fluoro-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 67076634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).