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

C18H16FNO3 — CID 59505271

IUPAC(3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(Cc1ccccc1F)N[C@@H]1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C18H16FNO3/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)/t16-/m1/s1
InChIKeyJUKHLCQVNADLBP-MRXNPFEDSA-N
MW313.33 g/mol
LogP2.87
Rot. Bonds4

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

(3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 59505271) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is (3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID59505271
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name(3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(Cc1ccccc1F)N[C@@H]1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C18H16FNO3/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)/t16-/m1/s1
InChIKeyJUKHLCQVNADLBP-MRXNPFEDSA-N
XLogP2.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(Pentanoylamino)methyl]phenyl]benzoic acid
CID 144527428
2-[(2,3-dihydro-1H-inden-2-ylamino)carbonyl]benzoic acid
CID 2810924
4-[[(3,4-Dimethylbenzoyl)amino]methyl]benzoic acid
CID 17171885
3-[4-[[2-(Trifluoromethyl)phenyl]methylcarbamoyl]phenyl]benzoic acid
CID 127040871
4-[[(4-Tert-butylbenzoyl)amino]methyl]-3-methylbenzoic acid
CID 137651853
4-[[(4-Tert-butylbenzoyl)amino]methyl]-2-methylbenzoic acid
CID 137651997
3-[[(4-Tert-butylbenzoyl)amino]methyl]benzoic acid
CID 108745395
4-[[[(E)-3-(2,6-dimethylphenyl)prop-2-enoyl]amino]methyl]benzoic acid
CID 166629700
(2S)-2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-phenylpropanoic acid
CID 44306225
3-[[2,3-dihydro-1H-indene-2-carbonyl-[1-(4-fluorophenyl)ethyl]amino]methyl]benzoic acid
CID 68288099
N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxamide
CID 59492823
9-hydroxy-N-propan-2-yl-9-(trifluoromethyl)fluorene-3-carboxamide
CID 59492879

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of (3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 59505271) is (3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for (3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for (3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid is O=C(Cc1ccccc1F)N[C@@H]1CCc2ccc(C(=O)O)cc21.
What is the InChIKey of (3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is JUKHLCQVNADLBP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16FNO3/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)/t16-/m1/s1.
What are the key properties of (3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
(3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 313.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 59505271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).