3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid

C18H16ClNO3 — CID 66798621

IUPAC3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(Cc1ccccc1Cl)NC1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C18H16ClNO3/c19-15-4-2-1-3-12(15)10-17(21)20-16-8-7-11-5-6-13(18(22)23)9-14(11)16/h1-6,9,16H,7-8,10H2,(H,20,21)(H,22,23)
InChIKeyYWRUNNHZVJLHRP-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.38
Rot. Bonds4

About 3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid

3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 66798621) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is 3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID66798621
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(Cc1ccccc1Cl)NC1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C18H16ClNO3/c19-15-4-2-1-3-12(15)10-17(21)20-16-8-7-11-5-6-13(18(22)23)9-14(11)16/h1-6,9,16H,7-8,10H2,(H,20,21)(H,22,23)
InChIKeyYWRUNNHZVJLHRP-UHFFFAOYSA-N
XLogP3.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

(3R)-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505245
3-[(2-chloro-6-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505698
(3R)-3-[[2-[(chloroamino)methyl]phenyl]sulfonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 175270949
methyl 3-[[2-(2-methylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 67547074
[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 95795793
(3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66799120
(3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66798644
(3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505364
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 129379453
5-[(2-chlorobenzoyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylic acid;methyl 5-[(2-chlorobenzoyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylate
CID 162002147
(3R)-3-[(2-chloro-4-methoxybenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505366
2-(2-chlorophenyl)-N-[(1R)-2-oxocyclopentyl]acetamide
CID 58413586

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 66798621) is 3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid is O=C(Cc1ccccc1Cl)NC1CCc2ccc(C(=O)O)cc21.
What is the InChIKey of 3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is YWRUNNHZVJLHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c19-15-4-2-1-3-12(15)10-17(21)20-16-8-7-11-5-6-13(18(22)23)9-14(11)16/h1-6,9,16H,7-8,10H2,(H,20,21)(H,22,23).
What are the key properties of 3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 329.78 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 66798621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).