4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid

C17H20BrNO3 — CID 120673094

IUPAC4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCc3cc(Br)ccc32)CC1
InChIInChI=1S/C17H20BrNO3/c18-13-6-7-14-12(9-13)5-8-15(14)19-16(20)10-1-3-11(4-2-10)17(21)22/h6-7,9-11,15H,1-5,8H2,(H,19,20)(H,21,22)
InChIKeyQYBGLVVUQVLOPJ-UHFFFAOYSA-N
MW366.26 g/mol
LogP3.44
Rot. Bonds3

About 4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673094) has the molecular formula C17H20BrNO3 and a molecular weight of 366.26 g/mol. Its IUPAC name is 4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673094
Molecular FormulaC17H20BrNO3
Molecular Weight366.26 g/mol
Exact Mass365.06
IUPAC Name4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCc3cc(Br)ccc32)CC1
InChIInChI=1S/C17H20BrNO3/c18-13-6-7-14-12(9-13)5-8-15(14)19-16(20)10-1-3-11(4-2-10)17(21)22/h6-7,9-11,15H,1-5,8H2,(H,19,20)(H,21,22)
InChIKeyQYBGLVVUQVLOPJ-UHFFFAOYSA-N
XLogP3.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-2-carboxamide
CID 136578972
(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamic acid
CID 118139241
N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide
CID 94198795
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide
CID 79740821
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715
N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-fluoro-4-methoxybenzamide
CID 86832844
2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]oxyacetamide
CID 112672562
5-bromo-N-methyl-2,3-dihydro-1H-indene-1-carboxamide
CID 166828796
N-[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide
CID 86675772
5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate
CID 164982080
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide
CID 83192047
2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 115591515

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 120673094) is 4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NC2CCc3cc(Br)ccc32)CC1.
What is the InChIKey of 4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is QYBGLVVUQVLOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO3/c18-13-6-7-14-12(9-13)5-8-15(14)19-16(20)10-1-3-11(4-2-10)17(21)22/h6-7,9-11,15H,1-5,8H2,(H,19,20)(H,21,22).
What are the key properties of 4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 366.26 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).