4-[(5-bromo-7-fluoro-2,3-dihydroindole-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C16H18BrFN2O3 — CID 122024200

IUPAC4-[(5-bromo-7-fluoro-2,3-dihydroindole-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCc3cc(Br)cc(F)c32)CC1
InChIInChI=1S/C16H18BrFN2O3/c17-11-7-10-5-6-20(14(10)13(18)8-11)16(23)19-12-3-1-9(2-4-12)15(21)22/h7-9,12H,1-6H2,(H,19,23)(H,21,22)
InChIKeySCFREAUVJMYPAF-UHFFFAOYSA-N
MW385.23 g/mol
LogP3.30
Rot. Bonds2

About 4-[(5-bromo-7-fluoro-2,3-dihydroindole-1-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(5-bromo-7-fluoro-2,3-dihydroindole-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122024200) has the molecular formula C16H18BrFN2O3 and a molecular weight of 385.23 g/mol. Its IUPAC name is 4-[(5-bromo-7-fluoro-2,3-dihydroindole-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-bromo-7-fluoro-2,3-dihydroindole-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID122024200
Molecular FormulaC16H18BrFN2O3
Molecular Weight385.23 g/mol
Exact Mass384.05
IUPAC Name4-[(5-bromo-7-fluoro-2,3-dihydroindole-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCc3cc(Br)cc(F)c32)CC1
InChIInChI=1S/C16H18BrFN2O3/c17-11-7-10-5-6-20(14(10)13(18)8-11)16(23)19-12-3-1-9(2-4-12)15(21)22/h7-9,12H,1-6H2,(H,19,23)(H,21,22)
InChIKeySCFREAUVJMYPAF-UHFFFAOYSA-N
XLogP3.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-bromo-8-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023780
4-[(7-bromo-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024036
4-[[4-(2,4-difluorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024888
4-[(7-acetyl-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023616
N-cyclopropyl-5-hydroxy-2,3-dihydroindole-1-carboxamide
CID 153363202
4-[[2-(3-bromophenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025053
4-[(1-carbamoyl-2,3-dihydroindol-6-yl)amino]cyclohexane-1-carboxylic acid
CID 122033630
1-[(4-bromo-2,6-difluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122011027
N-(1-benzylpiperidin-4-yl)-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide
CID 15993844
4-[(4-bromo-2-chloro-5-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122092526
4-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 119230227
cis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320556

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-7-fluoro-2,3-dihydroindole-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-bromo-7-fluoro-2,3-dihydroindole-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 122024200) is 4-[(5-bromo-7-fluoro-2,3-dihydroindole-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-bromo-7-fluoro-2,3-dihydroindole-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-bromo-7-fluoro-2,3-dihydroindole-1-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N2CCc3cc(Br)cc(F)c32)CC1.
What is the InChIKey of 4-[(5-bromo-7-fluoro-2,3-dihydroindole-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is SCFREAUVJMYPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O3/c17-11-7-10-5-6-20(14(10)13(18)8-11)16(23)19-12-3-1-9(2-4-12)15(21)22/h7-9,12H,1-6H2,(H,19,23)(H,21,22).
What are the key properties of 4-[(5-bromo-7-fluoro-2,3-dihydroindole-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(5-bromo-7-fluoro-2,3-dihydroindole-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 385.23 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-7-fluoro-2,3-dihydroindole-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).