[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamic acid

C21H21FN2O3 — CID 141210495

IUPAC[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamic acid
SMILESCCOc1ccc2c(F)c(-c3ccc(NC(=O)O)cc3)n(CC3CC3)c2c1
InChIInChI=1S/C21H21FN2O3/c1-2-27-16-9-10-17-18(11-16)24(12-13-3-4-13)20(19(17)22)14-5-7-15(8-6-14)23-21(25)26/h5-11,13,23H,2-4,12H2,1H3,(H,25,26)
InChIKeyRVHMNSQWNZWAQI-UHFFFAOYSA-N
MW368.41 g/mol
LogP5.35
Rot. Bonds6

About [4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamic acid

[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamic acid (PubChem CID 141210495) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is [4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamic acid
PubChem CID141210495
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamic acid
SMILESCCOc1ccc2c(F)c(-c3ccc(NC(=O)O)cc3)n(CC3CC3)c2c1
InChIInChI=1S/C21H21FN2O3/c1-2-27-16-9-10-17-18(11-16)24(12-13-3-4-13)20(19(17)22)14-5-7-15(8-6-14)23-21(25)26/h5-11,13,23H,2-4,12H2,1H3,(H,25,26)
InChIKeyRVHMNSQWNZWAQI-UHFFFAOYSA-N
XLogP5.35
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-fluoroindol-2-yl)phenyl]carbamate
CID 59426063
ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate
CID 58694483
propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(fluoromethoxy)indol-2-yl]phenyl]carbamate
CID 58039115
propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate
CID 70825780
1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea
CID 70844229
[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-amino-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate
CID 70825602
benzyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-methylperoxyindol-2-yl]phenyl]carbamate
CID 88979329
1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-ethylindol-2-yl)phenyl]carbamate
CID 71177421
1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-2-yl)phenyl]urea
CID 59425780
[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-amino-1-(cyclopropylmethyl)-6-hydroxyindol-2-yl]phenyl]carbamate
CID 71177505
1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea
CID 70666782
[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamic acid
CID 59426144

Frequently Asked Questions

What is the IUPAC name of [4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamic acid?
The IUPAC name of [4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamic acid (CID 141210495) is [4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamic acid.
What is the SMILES notation for [4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamic acid?
The canonical SMILES for [4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamic acid is CCOc1ccc2c(F)c(-c3ccc(NC(=O)O)cc3)n(CC3CC3)c2c1.
What is the InChIKey of [4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamic acid?
The InChIKey is RVHMNSQWNZWAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-2-27-16-9-10-17-18(11-16)24(12-13-3-4-13)20(19(17)22)14-5-7-15(8-6-14)23-21(25)26/h5-11,13,23H,2-4,12H2,1H3,(H,25,26).
What are the key properties of [4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamic acid?
[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamic acid has a molecular weight of 368.41 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamic acid is sourced from PubChem (CID 141210495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).