(3R)-3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-4-carboxylic acid

C17H14ClNO3 — CID 59505213

IUPAC(3R)-3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-4-carboxylic acid
SMILESO=C(N[C@@H]1CCc2cccc(C(=O)O)c21)c1ccccc1Cl
InChIInChI=1S/C17H14ClNO3/c18-13-7-2-1-5-11(13)16(20)19-14-9-8-10-4-3-6-12(15(10)14)17(21)22/h1-7,14H,8-9H2,(H,19,20)(H,21,22)/t14-/m1/s1
InChIKeyBQGSQOJLJNORRH-CQSZACIVSA-N
MW315.76 g/mol
LogP3.46
Rot. Bonds3

About (3R)-3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-4-carboxylic acid

(3R)-3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-4-carboxylic acid (PubChem CID 59505213) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is (3R)-3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-4-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-4-carboxylic acid
PubChem CID59505213
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name(3R)-3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-4-carboxylic acid
SMILESO=C(N[C@@H]1CCc2cccc(C(=O)O)c21)c1ccccc1Cl
InChIInChI=1S/C17H14ClNO3/c18-13-7-2-1-5-11(13)16(20)19-14-9-8-10-4-3-6-12(15(10)14)17(21)22/h1-7,14H,8-9H2,(H,19,20)(H,21,22)/t14-/m1/s1
InChIKeyBQGSQOJLJNORRH-CQSZACIVSA-N
XLogP3.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid
CID 125041541
3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 103981419
[(1S,2R)-8-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 151291625
3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
3-chloro-2-hydroxy-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)benzamide
CID 138509822
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide
CID 81266310
2-chloro-N-cyclopentylbenzamide
CID 669043
3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167578761
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide
CID 42889076

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-4-carboxylic acid?
The IUPAC name of (3R)-3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-4-carboxylic acid (CID 59505213) is (3R)-3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-4-carboxylic acid.
What is the SMILES notation for (3R)-3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-4-carboxylic acid?
The canonical SMILES for (3R)-3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-4-carboxylic acid is O=C(N[C@@H]1CCc2cccc(C(=O)O)c21)c1ccccc1Cl.
What is the InChIKey of (3R)-3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-4-carboxylic acid?
The InChIKey is BQGSQOJLJNORRH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14ClNO3/c18-13-7-2-1-5-11(13)16(20)19-14-9-8-10-4-3-6-12(15(10)14)17(21)22/h1-7,14H,8-9H2,(H,19,20)(H,21,22)/t14-/m1/s1.
What are the key properties of (3R)-3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-4-carboxylic acid?
(3R)-3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-4-carboxylic acid has a molecular weight of 315.76 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-4-carboxylic acid is sourced from PubChem (CID 59505213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).