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

C18H16ClNO3 — CID 166375745

IUPAC1-[(2-chloro-4-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCc1ccc(C(=O)NC2c3ccccc3CC2C(=O)O)c(Cl)c1
InChIInChI=1S/C18H16ClNO3/c1-10-6-7-13(15(19)8-10)17(21)20-16-12-5-3-2-4-11(12)9-14(16)18(22)23/h2-8,14,16H,9H2,1H3,(H,20,21)(H,22,23)
InChIKeyGTTXVVYIQOPUHZ-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.38
Rot. Bonds3

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

1-[(2-chloro-4-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 166375745) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chloro-4-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID166375745
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name1-[(2-chloro-4-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCc1ccc(C(=O)NC2c3ccccc3CC2C(=O)O)c(Cl)c1
InChIInChI=1S/C18H16ClNO3/c1-10-6-7-13(15(19)8-10)17(21)20-16-12-5-3-2-4-11(12)9-14(16)18(22)23/h2-8,14,16H,9H2,1H3,(H,20,21)(H,22,23)
InChIKeyGTTXVVYIQOPUHZ-UHFFFAOYSA-N
XLogP3.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 106509864
2-chloro-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 3398398
1-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid
CID 68736790
2-bromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methylbenzamide
CID 103862955
2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide
CID 114302135
5-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 82874519
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 65311609
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
4-chloro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 115694749
1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid
CID 87579467
5-chloro-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816845
4-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 114982975

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of 1-[(2-chloro-4-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid (CID 166375745) is 1-[(2-chloro-4-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for 1-[(2-chloro-4-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for 1-[(2-chloro-4-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid is Cc1ccc(C(=O)NC2c3ccccc3CC2C(=O)O)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is GTTXVVYIQOPUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-10-6-7-13(15(19)8-10)17(21)20-16-12-5-3-2-4-11(12)9-14(16)18(22)23/h2-8,14,16H,9H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 1-[(2-chloro-4-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid?
1-[(2-chloro-4-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 329.78 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 166375745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).