N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline;ethane

C24H25Br2FN2O — CID 144579386

IUPACN-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline;ethane
SMILESCC.COc1cccc(NCC(F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1
InChIInChI=1S/C22H19Br2FN2O.C2H6/c1-28-18-4-2-3-17(11-18)26-12-16(25)13-27-21-7-5-14(23)9-19(21)20-10-15(24)6-8-22(20)27;1-2/h2-11,16,26H,12-13H2,1H3;1-2H3
InChIKeyWPORLRYXTNEGDD-UHFFFAOYSA-N
MW536.28 g/mol
LogP7.80
Rot. Bonds6

About N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline;ethane

N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline;ethane (PubChem CID 144579386) has the molecular formula C24H25Br2FN2O and a molecular weight of 536.28 g/mol. Its IUPAC name is N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline;ethane.

Molecular Properties

Compound NameN-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline;ethane
PubChem CID144579386
Molecular FormulaC24H25Br2FN2O
Molecular Weight536.28 g/mol
Exact Mass534.03
IUPAC NameN-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline;ethane
SMILESCC.COc1cccc(NCC(F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1
InChIInChI=1S/C22H19Br2FN2O.C2H6/c1-28-18-4-2-3-17(11-18)26-12-16(25)13-27-21-7-5-14(23)9-19(21)20-10-15(24)6-8-22(20)27;1-2/h2-11,16,26H,12-13H2,1H3;1-2H3
InChIKeyWPORLRYXTNEGDD-UHFFFAOYSA-N
XLogP7.80
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.28
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline;ethane 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

N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-4-[2-(2-methoxyethoxy)ethoxy]aniline;methane
CID 158522948
N-[3-(3-bromo-6-methylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine
CID 71254229
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-methoxyanilino)propan-2-ol
CID 981469
3,6-dibromo-9-(2-fluoro-3-phenoxypropyl)carbazole
CID 52916775
N-[3-(3,6-dibromocarbazol-9-yl)propyl]-4-methoxyaniline
CID 91116866
N-[3-(3,6-dimethylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine
CID 123887437
1-[3,6-bis(2-diiodophosphanylsulfanylethynyl)carbazol-9-yl]-3-(3-methoxyanilino)propan-2-ol
CID 134486044
1-(3-azidoanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 46851045
1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)amino]propan-2-ol
CID 71254089
ethane;N-ethyl-3-methoxyaniline
CID 142222302
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
N-[(2-bromo-4-fluorophenyl)methyl]-3-methoxyaniline
CID 28585613

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline;ethane?
The IUPAC name of N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline;ethane (CID 144579386) is N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline;ethane.
What is the SMILES notation for N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline;ethane?
The canonical SMILES for N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline;ethane is CC.COc1cccc(NCC(F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1.
What is the InChIKey of N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline;ethane?
The InChIKey is WPORLRYXTNEGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Br2FN2O.C2H6/c1-28-18-4-2-3-17(11-18)26-12-16(25)13-27-21-7-5-14(23)9-19(21)20-10-15(24)6-8-22(20)27;1-2/h2-11,16,26H,12-13H2,1H3;1-2H3.
What are the key properties of N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline;ethane?
N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline;ethane has a molecular weight of 536.28 g/mol, XLogP of 7.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline;ethane is sourced from PubChem (CID 144579386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).