2-[[1-[(4-fluorophenyl)methyl]-4-methoxyindole-3-carbonyl]amino]acetic acid

C19H17FN2O4 — CID 71595844

IUPAC2-[[1-[(4-fluorophenyl)methyl]-4-methoxyindole-3-carbonyl]amino]acetic acid
SMILESCOc1cccc2c1c(C(=O)NCC(=O)O)cn2Cc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O4/c1-26-16-4-2-3-15-18(16)14(19(25)21-9-17(23)24)11-22(15)10-12-5-7-13(20)8-6-12/h2-8,11H,9-10H2,1H3,(H,21,25)(H,23,24)
InChIKeyBTBNGZUDIQTRHE-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.65
Rot. Bonds6

About 2-[[1-[(4-fluorophenyl)methyl]-4-methoxyindole-3-carbonyl]amino]acetic acid

2-[[1-[(4-fluorophenyl)methyl]-4-methoxyindole-3-carbonyl]amino]acetic acid (PubChem CID 71595844) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-[[1-[(4-fluorophenyl)methyl]-4-methoxyindole-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-[(4-fluorophenyl)methyl]-4-methoxyindole-3-carbonyl]amino]acetic acid
PubChem CID71595844
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name2-[[1-[(4-fluorophenyl)methyl]-4-methoxyindole-3-carbonyl]amino]acetic acid
SMILESCOc1cccc2c1c(C(=O)NCC(=O)O)cn2Cc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O4/c1-26-16-4-2-3-15-18(16)14(19(25)21-9-17(23)24)11-22(15)10-12-5-7-13(20)8-6-12/h2-8,11H,9-10H2,1H3,(H,21,25)(H,23,24)
InChIKeyBTBNGZUDIQTRHE-UHFFFAOYSA-N
XLogP2.65
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Varespladib
CID 155815
Varespladib Methyl
CID 9886917
4-(benzyloxy)-1H-indole-3-carbaldehyde
CID 7015846
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-methoxy-N-methyl-1H-indole-7-carboxamide
CID 507967
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-methoxy-1H-indole-7-carboxamide
CID 507980
2-(6-fluoro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 16762233
PD-0333941
CID 10134976
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506242
1-(4-benzoylpiperazin-1-yl)-2-(4-ethoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506248
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(4-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506330
(E)-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxyindol-3-yl]prop-2-enoic acid
CID 10552237
7-Fluoro-4-{2-[3-(1H-indol-3-yl)-propylamino]-ethoxy}-1,3-dihydro-indol-2-one
CID 10618968

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-fluorophenyl)methyl]-4-methoxyindole-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-[(4-fluorophenyl)methyl]-4-methoxyindole-3-carbonyl]amino]acetic acid (CID 71595844) is 2-[[1-[(4-fluorophenyl)methyl]-4-methoxyindole-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-[(4-fluorophenyl)methyl]-4-methoxyindole-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-[(4-fluorophenyl)methyl]-4-methoxyindole-3-carbonyl]amino]acetic acid is COc1cccc2c1c(C(=O)NCC(=O)O)cn2Cc1ccc(F)cc1.
What is the InChIKey of 2-[[1-[(4-fluorophenyl)methyl]-4-methoxyindole-3-carbonyl]amino]acetic acid?
The InChIKey is BTBNGZUDIQTRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c1-26-16-4-2-3-15-18(16)14(19(25)21-9-17(23)24)11-22(15)10-12-5-7-13(20)8-6-12/h2-8,11H,9-10H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 2-[[1-[(4-fluorophenyl)methyl]-4-methoxyindole-3-carbonyl]amino]acetic acid?
2-[[1-[(4-fluorophenyl)methyl]-4-methoxyindole-3-carbonyl]amino]acetic acid has a molecular weight of 356.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-fluorophenyl)methyl]-4-methoxyindole-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 71595844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).