1-[6-chloro-4-(4-fluoro-3-methoxyanilino)-1H-indol-3-yl]ethyl formate

C18H16ClFN2O3 — CID 175308144

IUPAC1-[6-chloro-4-(4-fluoro-3-methoxyanilino)-1H-indol-3-yl]ethyl formate
SMILESCOc1cc(Nc2cc(Cl)cc3[nH]cc(C(C)OC=O)c23)ccc1F
InChIInChI=1S/C18H16ClFN2O3/c1-10(25-9-23)13-8-21-15-5-11(19)6-16(18(13)15)22-12-3-4-14(20)17(7-12)24-2/h3-10,21-22H,1-2H3
InChIKeyVSGJRFPLHGNQPL-UHFFFAOYSA-N
MW362.79 g/mol
LogP4.95
Rot. Bonds6

About 1-[6-chloro-4-(4-fluoro-3-methoxyanilino)-1H-indol-3-yl]ethyl formate

1-[6-chloro-4-(4-fluoro-3-methoxyanilino)-1H-indol-3-yl]ethyl formate (PubChem CID 175308144) has the molecular formula C18H16ClFN2O3 and a molecular weight of 362.79 g/mol. Its IUPAC name is 1-[6-chloro-4-(4-fluoro-3-methoxyanilino)-1H-indol-3-yl]ethyl formate.

Molecular Properties

Compound Name1-[6-chloro-4-(4-fluoro-3-methoxyanilino)-1H-indol-3-yl]ethyl formate
PubChem CID175308144
Molecular FormulaC18H16ClFN2O3
Molecular Weight362.79 g/mol
Exact Mass362.08
IUPAC Name1-[6-chloro-4-(4-fluoro-3-methoxyanilino)-1H-indol-3-yl]ethyl formate
SMILESCOc1cc(Nc2cc(Cl)cc3[nH]cc(C(C)OC=O)c23)ccc1F
InChIInChI=1S/C18H16ClFN2O3/c1-10(25-9-23)13-8-21-15-5-11(19)6-16(18(13)15)22-12-3-4-14(20)17(7-12)24-2/h3-10,21-22H,1-2H3
InChIKeyVSGJRFPLHGNQPL-UHFFFAOYSA-N
XLogP4.95
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-[6-chloro-4-(4-fluoro-3-methoxyanilino)-1H-indol-3-yl]ethyl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-5-fluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,2-diamine
CID 114837240
N-[1-(4-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114837677
1-N-(4-fluoro-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine
CID 114837261
2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide
CID 114839350
6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114840486
1-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine
CID 114837167
2-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine
CID 114837286
1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 114837165
5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114841159
5-amino-2-(4-fluoro-3-methoxyanilino)benzamide
CID 114840634
2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine
CID 114837137
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838027

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-4-(4-fluoro-3-methoxyanilino)-1H-indol-3-yl]ethyl formate?
The IUPAC name of 1-[6-chloro-4-(4-fluoro-3-methoxyanilino)-1H-indol-3-yl]ethyl formate (CID 175308144) is 1-[6-chloro-4-(4-fluoro-3-methoxyanilino)-1H-indol-3-yl]ethyl formate.
What is the SMILES notation for 1-[6-chloro-4-(4-fluoro-3-methoxyanilino)-1H-indol-3-yl]ethyl formate?
The canonical SMILES for 1-[6-chloro-4-(4-fluoro-3-methoxyanilino)-1H-indol-3-yl]ethyl formate is COc1cc(Nc2cc(Cl)cc3[nH]cc(C(C)OC=O)c23)ccc1F.
What is the InChIKey of 1-[6-chloro-4-(4-fluoro-3-methoxyanilino)-1H-indol-3-yl]ethyl formate?
The InChIKey is VSGJRFPLHGNQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O3/c1-10(25-9-23)13-8-21-15-5-11(19)6-16(18(13)15)22-12-3-4-14(20)17(7-12)24-2/h3-10,21-22H,1-2H3.
What are the key properties of 1-[6-chloro-4-(4-fluoro-3-methoxyanilino)-1H-indol-3-yl]ethyl formate?
1-[6-chloro-4-(4-fluoro-3-methoxyanilino)-1H-indol-3-yl]ethyl formate has a molecular weight of 362.79 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-4-(4-fluoro-3-methoxyanilino)-1H-indol-3-yl]ethyl formate is sourced from PubChem (CID 175308144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).