2-[3-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid

C19H25FN2O2 — CID 130433726

IUPAC2-[3-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid
SMILESCCNC1CCC(c2c(C)n(CC(=O)O)c3ccc(F)cc23)CC1
InChIInChI=1S/C19H25FN2O2/c1-3-21-15-7-4-13(5-8-15)19-12(2)22(11-18(23)24)17-9-6-14(20)10-16(17)19/h6,9-10,13,15,21H,3-5,7-8,11H2,1-2H3,(H,23,24)
InChIKeyYNPMAZPIEZYUMF-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.81
Rot. Bonds5

About 2-[3-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid

2-[3-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid (PubChem CID 130433726) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-[3-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid
PubChem CID130433726
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name2-[3-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid
SMILESCCNC1CCC(c2c(C)n(CC(=O)O)c3ccc(F)cc23)CC1
InChIInChI=1S/C19H25FN2O2/c1-3-21-15-7-4-13(5-8-15)19-12(2)22(11-18(23)24)17-9-6-14(20)10-16(17)19/h6,9-10,13,15,21H,3-5,7-8,11H2,1-2H3,(H,23,24)
InChIKeyYNPMAZPIEZYUMF-UHFFFAOYSA-N
XLogP3.81
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[5-fluoro-3-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]-2-methylindol-1-yl]acetic acid
CID 130422471
2-[5-fluoro-2-methyl-3-[4-(pyridine-2-carbonylamino)cyclohexyl]indol-1-yl]acetic acid
CID 130422447
2-[5-fluoro-2-methyl-3-[1-(4-methylbenzoyl)piperidin-4-yl]indol-1-yl]acetic acid
CID 130433701
2-[5-fluoro-2-methyl-3-[3-[(4-methylphenyl)sulfonylamino]cyclobutyl]indol-1-yl]acetic acid
CID 130433688
2-[5-fluoro-3-[3-[(4-fluorophenyl)sulfanylamino]cyclobutyl]-2-methylindol-1-yl]acetic acid
CID 145030258
2-[5-fluoro-3-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-methylindol-1-yl]acetic acid
CID 130433697
methyl 2-[5-fluoro-2-methyl-3-(4-propylcyclohexyl)indol-1-yl]acetate
CID 130433721
2-[5-fluoro-2-methyl-3-[1-[4-(trifluoromethyl)phenyl]sulfanylpiperidin-4-yl]indol-1-yl]acetic acid
CID 146667423
methyl 2-[5-fluoro-2-methyl-3-[4-[methyl(propanoyl)amino]cyclohexyl]indol-1-yl]acetate
CID 130440217
methyl 2-[3-[4-[ethylsulfonyl(methyl)amino]cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetate
CID 130440196
methyl 2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetate
CID 130422541
2-[5-fluoro-2-methyl-3-[1-(4-propan-2-yloxyphenyl)sulfinylpiperidin-4-yl]indol-1-yl]acetic acid
CID 145030288

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid?
The IUPAC name of 2-[3-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid (CID 130433726) is 2-[3-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid is CCNC1CCC(c2c(C)n(CC(=O)O)c3ccc(F)cc23)CC1.
What is the InChIKey of 2-[3-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid?
The InChIKey is YNPMAZPIEZYUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-3-21-15-7-4-13(5-8-15)19-12(2)22(11-18(23)24)17-9-6-14(20)10-16(17)19/h6,9-10,13,15,21H,3-5,7-8,11H2,1-2H3,(H,23,24).
What are the key properties of 2-[3-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid?
2-[3-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid has a molecular weight of 332.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid is sourced from PubChem (CID 130433726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).