(1R)-1-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid

C17H13ClFNO3 — CID 66798834

IUPAC(1R)-1-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1cc2c(cc1F)[C@H](NC(=O)c1ccccc1Cl)CC2
InChIInChI=1S/C17H13ClFNO3/c18-13-4-2-1-3-10(13)16(21)20-15-6-5-9-7-12(17(22)23)14(19)8-11(9)15/h1-4,7-8,15H,5-6H2,(H,20,21)(H,22,23)/t15-/m1/s1
InChIKeySDMOXMDCEGXOJR-OAHLLOKOSA-N
MW333.75 g/mol
LogP3.59
Rot. Bonds3

About (1R)-1-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid

(1R)-1-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 66798834) has the molecular formula C17H13ClFNO3 and a molecular weight of 333.75 g/mol. Its IUPAC name is (1R)-1-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name(1R)-1-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID66798834
Molecular FormulaC17H13ClFNO3
Molecular Weight333.75 g/mol
Exact Mass333.06
IUPAC Name(1R)-1-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1cc2c(cc1F)[C@H](NC(=O)c1ccccc1Cl)CC2
InChIInChI=1S/C17H13ClFNO3/c18-13-4-2-1-3-10(13)16(21)20-15-6-5-9-7-12(17(22)23)14(19)8-11(9)15/h1-4,7-8,15H,5-6H2,(H,20,21)(H,22,23)/t15-/m1/s1
InChIKeySDMOXMDCEGXOJR-OAHLLOKOSA-N
XLogP3.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R)-1-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid with MolForge

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Related Compounds

4-[[(4-Tert-butylbenzoyl)amino]methyl]-2-chlorobenzoic acid
CID 137644141
2'-(2-Chloro-benzylcarbamoyl)-biphenyl-2-carboxylic acid
CID 1431344
4-[2-[(3-Chlorobenzoyl)amino]ethyl]benzoic acid
CID 43233744
4-({3-[(1R)-1-{[(2S)-1-carbamoylpropan-2-yl]amino}propyl]-6-chloro-2-fluorophenyl}carbonyl)-benzoic acid
CID 89544798
2-chloro-6-fluoro-N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)benzamide
CID 71782144
9-acetamido-9H-fluorene-2-carboxylic acid
CID 458554
N-(2,3-dihydro-1H-inden-2-yl)-4-(2,2,2-trifluoro-1,1-dihydroxyethyl)benzamide
CID 21920919
4-FLUORO-N-[5-(1-HYDROXY-ETHYL)-INDAN-2-yl]-BENZAMIDE
CID 21921167
2-Chloro-6-({[(S)-cyclopropyl-(3-fluoro-phenyl)-methyl]-carbamoyl}-methyl)-benzoic acid
CID 57733292
4-[(1S)-1-[[5-chloro-2-[(3-fluorophenyl)methyl]benzoyl]amino]ethyl]benzoic acid
CID 58905338
3-[4-Chloro-3-[[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]methyl]phenyl]benzoic acid
CID 59219091
methyl (3R)-3-[(2-chloro-5-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 59505189

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of (1R)-1-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid (CID 66798834) is (1R)-1-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for (1R)-1-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for (1R)-1-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid is O=C(O)c1cc2c(cc1F)[C@H](NC(=O)c1ccccc1Cl)CC2.
What is the InChIKey of (1R)-1-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is SDMOXMDCEGXOJR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H13ClFNO3/c18-13-4-2-1-3-10(13)16(21)20-15-6-5-9-7-12(17(22)23)14(19)8-11(9)15/h1-4,7-8,15H,5-6H2,(H,20,21)(H,22,23)/t15-/m1/s1.
What are the key properties of (1R)-1-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid?
(1R)-1-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 333.75 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 66798834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).