3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid

C18H16ClNO3 — CID 59505204

IUPAC3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCN(C(=O)c1ccccc1Cl)C1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C18H16ClNO3/c1-20(17(21)13-4-2-3-5-15(13)19)16-9-8-11-6-7-12(18(22)23)10-14(11)16/h2-7,10,16H,8-9H2,1H3,(H,22,23)
InChIKeyLONFWEKEQXYVEU-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.80
Rot. Bonds3

About 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid

3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 59505204) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID59505204
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCN(C(=O)c1ccccc1Cl)C1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C18H16ClNO3/c1-20(17(21)13-4-2-3-5-15(13)19)16-9-8-11-6-7-12(18(22)23)10-14(11)16/h2-7,10,16H,8-9H2,1H3,(H,22,23)
InChIKeyLONFWEKEQXYVEU-UHFFFAOYSA-N
XLogP3.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-methylbenzoyl)-propan-2-ylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66798463
3-[3,4-dimethylpentanoyl(methyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66799117
2-chloro-N-methyl-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
CID 66701050
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 81295054
2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine
CID 174646210
2-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-1,3-diazaspiro[4.5]decane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide
CID 66701254
3-[(2-chlorophenyl)carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 66799296
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43575493
3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66798621
(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-piperidin-4-yl-2,3-dihydro-1H-indene-5-carboxamide
CID 66798745
N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide
CID 144743792
2,5-dichloro-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 66700523

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 59505204) is 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid is CN(C(=O)c1ccccc1Cl)C1CCc2ccc(C(=O)O)cc21.
What is the InChIKey of 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is LONFWEKEQXYVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-20(17(21)13-4-2-3-5-15(13)19)16-9-8-11-6-7-12(18(22)23)10-14(11)16/h2-7,10,16H,8-9H2,1H3,(H,22,23).
What are the key properties of 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid?
3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 329.78 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 59505204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).