N-[6-amino-8-chloro-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide

C23H25ClFN3O — CID 89098786

IUPACN-[6-amino-8-chloro-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCc2c(c3cc(N)cc(Cl)c3n2Cc2cccc(F)c2)C1
InChIInChI=1S/C23H25ClFN3O/c1-13(2)23(29)27-17-6-7-21-18(11-17)19-9-16(26)10-20(24)22(19)28(21)12-14-4-3-5-15(25)8-14/h3-5,8-10,13,17H,6-7,11-12,26H2,1-2H3,(H,27,29)
InChIKeyOGKOABGEXAYCBU-UHFFFAOYSA-N
MW413.92 g/mol
LogP4.69
Rot. Bonds4

About N-[6-amino-8-chloro-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide

N-[6-amino-8-chloro-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide (PubChem CID 89098786) has the molecular formula C23H25ClFN3O and a molecular weight of 413.92 g/mol. Its IUPAC name is N-[6-amino-8-chloro-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-amino-8-chloro-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
PubChem CID89098786
Molecular FormulaC23H25ClFN3O
Molecular Weight413.92 g/mol
Exact Mass413.17
IUPAC NameN-[6-amino-8-chloro-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCc2c(c3cc(N)cc(Cl)c3n2Cc2cccc(F)c2)C1
InChIInChI=1S/C23H25ClFN3O/c1-13(2)23(29)27-17-6-7-21-18(11-17)19-9-16(26)10-20(24)22(19)28(21)12-14-4-3-5-15(25)8-14/h3-5,8-10,13,17H,6-7,11-12,26H2,1-2H3,(H,27,29)
InChIKeyOGKOABGEXAYCBU-UHFFFAOYSA-N
XLogP4.69
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.92
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(9-ethyl-9H-carbazol-3-yl)-2-methylpropanamide
CID 1717915
N-(3-chlorobenzyl)-3-(1-methyl-1H-indol-3-yl)propanamide
CID 20899770
(2Z)-N-(3-Chlorophenyl)-2-cyano-3-{1-[(4-fluorophenyl)methyl]-1H-indol-3-YL}prop-2-enamide
CID 15991156
N-(3-chloro-4-cyanophenyl)-N'-(9-ethyl-9H-carbazol-3-yl)-3-methylpentanediamide
CID 71538152
N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclopropanecarboxamide
CID 10519515
N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide
CID 10758853
N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
CID 10827392
(2E)-3-(1-benzyl-2-methyl-1H-indol-3-yl)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 15991158
(2E)-3-[1-(2-chlorobenzyl)-2-methyl-1H-indol-3-yl]-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 15991163
N-(9-ethylcarbazol-3-yl)-N'-(4-fluorophenyl)-3-methylpentanediamide
CID 145970596
(2S)-N-(3-chlorophenyl)-2-[[2-(1-ethyl-2-methylindol-3-yl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 162666323
(2S)-N-(3-chlorophenyl)-N-methyl-2-[[2-(2-methyl-1-propan-2-ylindol-3-yl)acetyl]amino]-3-phenylpropanamide
CID 162669495

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-8-chloro-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
The IUPAC name of N-[6-amino-8-chloro-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide (CID 89098786) is N-[6-amino-8-chloro-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[6-amino-8-chloro-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[6-amino-8-chloro-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCc2c(c3cc(N)cc(Cl)c3n2Cc2cccc(F)c2)C1.
What is the InChIKey of N-[6-amino-8-chloro-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
The InChIKey is OGKOABGEXAYCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN3O/c1-13(2)23(29)27-17-6-7-21-18(11-17)19-9-16(26)10-20(24)22(19)28(21)12-14-4-3-5-15(25)8-14/h3-5,8-10,13,17H,6-7,11-12,26H2,1-2H3,(H,27,29).
What are the key properties of N-[6-amino-8-chloro-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
N-[6-amino-8-chloro-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide has a molecular weight of 413.92 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-8-chloro-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 89098786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).