7-chloro-3-[2-[1-[2-(dimethylamino)ethyl]-6-fluoroindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide

C25H23ClFN3O3 — CID 121473606

IUPAC7-chloro-3-[2-[1-[2-(dimethylamino)ethyl]-6-fluoroindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
SMILESCN(C)CCn1cc(C(=O)COc2cc3ccc(Cl)cc3cc2C(N)=O)c2ccc(F)cc21
InChIInChI=1S/C25H23ClFN3O3/c1-29(2)7-8-30-13-21(19-6-5-18(27)12-22(19)30)23(31)14-33-24-11-15-3-4-17(26)9-16(15)10-20(24)25(28)32/h3-6,9-13H,7-8,14H2,1-2H3,(H2,28,32)
InChIKeyVEYKWCGYFCMFIW-UHFFFAOYSA-N
MW467.93 g/mol
LogP4.51
Rot. Bonds8

About 7-chloro-3-[2-[1-[2-(dimethylamino)ethyl]-6-fluoroindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide

7-chloro-3-[2-[1-[2-(dimethylamino)ethyl]-6-fluoroindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide (PubChem CID 121473606) has the molecular formula C25H23ClFN3O3 and a molecular weight of 467.93 g/mol. Its IUPAC name is 7-chloro-3-[2-[1-[2-(dimethylamino)ethyl]-6-fluoroindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-[2-[1-[2-(dimethylamino)ethyl]-6-fluoroindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
PubChem CID121473606
Molecular FormulaC25H23ClFN3O3
Molecular Weight467.93 g/mol
Exact Mass467.14
IUPAC Name7-chloro-3-[2-[1-[2-(dimethylamino)ethyl]-6-fluoroindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
SMILESCN(C)CCn1cc(C(=O)COc2cc3ccc(Cl)cc3cc2C(N)=O)c2ccc(F)cc21
InChIInChI=1S/C25H23ClFN3O3/c1-29(2)7-8-30-13-21(19-6-5-18(27)12-22(19)30)23(31)14-33-24-11-15-3-4-17(26)9-16(15)10-20(24)25(28)32/h3-6,9-13H,7-8,14H2,1-2H3,(H2,28,32)
InChIKeyVEYKWCGYFCMFIW-UHFFFAOYSA-N
XLogP4.51
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.93
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-3-[2-oxo-2-(6-propan-2-yl-1-propylindol-3-yl)ethoxy]naphthalene-2-carboxamide
CID 145117768
7-chloro-3-[2-[6-cyclopropyl-1-[(3S)-3,4-dihydroxy-3-methylbutyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121475070
7-chloro-3-[2-[6-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473456
7-chloro-3-[2-[6-cyclopropyl-1-[(3R)-3,4-dihydroxy-4-methylpentyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473716
7-chloro-3-[2-[1-[2-(methylamino)-2-oxoethyl]-6-pyridin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121475015
7-chloro-3-[2-[6-cyclopropyl-1-[(2R)-2-hydroxy-3-(2-hydroxyethylamino)-3-oxopropyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473736
7-chloro-3-[2-[6-[(1E,3Z)-1,4-diaminobuta-1,3-dienoxy]-1-[2-(3-hydroxyazetidin-1-yl)ethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 145118004
7-chloro-3-[2-[6-[(1E,3Z)-1,4-diaminobuta-1,3-dienoxy]-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 145117996
methyl (2S)-4-[3-[2-(3-carbamoyl-6-chloronaphthalen-2-yl)oxyacetyl]-6-cyclopropylindol-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 121475358
7-chloro-3-[2-(6-chloro-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473674
7-chloro-3-[2-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121475368
7-chloro-3-[2-[1-[2-[(3R,4S)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473715

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[2-[1-[2-(dimethylamino)ethyl]-6-fluoroindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
The IUPAC name of 7-chloro-3-[2-[1-[2-(dimethylamino)ethyl]-6-fluoroindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide (CID 121473606) is 7-chloro-3-[2-[1-[2-(dimethylamino)ethyl]-6-fluoroindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide.
What is the SMILES notation for 7-chloro-3-[2-[1-[2-(dimethylamino)ethyl]-6-fluoroindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
The canonical SMILES for 7-chloro-3-[2-[1-[2-(dimethylamino)ethyl]-6-fluoroindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide is CN(C)CCn1cc(C(=O)COc2cc3ccc(Cl)cc3cc2C(N)=O)c2ccc(F)cc21.
What is the InChIKey of 7-chloro-3-[2-[1-[2-(dimethylamino)ethyl]-6-fluoroindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
The InChIKey is VEYKWCGYFCMFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN3O3/c1-29(2)7-8-30-13-21(19-6-5-18(27)12-22(19)30)23(31)14-33-24-11-15-3-4-17(26)9-16(15)10-20(24)25(28)32/h3-6,9-13H,7-8,14H2,1-2H3,(H2,28,32).
What are the key properties of 7-chloro-3-[2-[1-[2-(dimethylamino)ethyl]-6-fluoroindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
7-chloro-3-[2-[1-[2-(dimethylamino)ethyl]-6-fluoroindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide has a molecular weight of 467.93 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[2-[1-[2-(dimethylamino)ethyl]-6-fluoroindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 121473606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).