N-[(5-bromo-2-fluorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide

C22H15BrF2N2O — CID 21014528

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(NCc1cc(Br)ccc1F)c1[nH]c2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/C22H15BrF2N2O/c23-15-6-8-18(25)14(10-15)12-26-22(28)21-20(13-4-2-1-3-5-13)17-11-16(24)7-9-19(17)27-21/h1-11,27H,12H2,(H,26,28)
InChIKeyDQWXFVFPKKWWMG-UHFFFAOYSA-N
MW441.28 g/mol
LogP5.81
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide

N-[(5-bromo-2-fluorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide (PubChem CID 21014528) has the molecular formula C22H15BrF2N2O and a molecular weight of 441.28 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
PubChem CID21014528
Molecular FormulaC22H15BrF2N2O
Molecular Weight441.28 g/mol
Exact Mass440.03
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(NCc1cc(Br)ccc1F)c1[nH]c2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/C22H15BrF2N2O/c23-15-6-8-18(25)14(10-15)12-26-22(28)21-20(13-4-2-1-3-5-13)17-11-16(24)7-9-19(17)27-21/h1-11,27H,12H2,(H,26,28)
InChIKeyDQWXFVFPKKWWMG-UHFFFAOYSA-N
XLogP5.81
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.28
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-N-[(2-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
CID 21014382
4-bromo-2-ethyl-1-fluorobenzene;1-(5-fluoro-3-phenyl-1H-indol-2-yl)ethanone
CID 143602127
N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 21014526
5-fluoro-N-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
CID 21014400
5-fluoro-N-[[3-(hydroxymethyl)-4,5-dimethoxyphenyl]methyl]-3-phenyl-1H-indole-2-carboxamide
CID 58125938
3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one
CID 58125933
5-fluoro-3-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 21014366
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
3-benzamido-5-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 50765509
tert-butyl N-[[(1R,2R,3R)-3-[[(5-fluoro-3-phenyl-1H-indole-2-carbonyl)amino]methyl]-2-hydroxycyclopentyl]methyl]carbamate
CID 175625984
N-[(4-chlorophenyl)methylideneamino]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 70119737
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide (CID 21014528) is N-[(5-bromo-2-fluorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide is O=C(NCc1cc(Br)ccc1F)c1[nH]c2ccc(F)cc2c1-c1ccccc1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is DQWXFVFPKKWWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrF2N2O/c23-15-6-8-18(25)14(10-15)12-26-22(28)21-20(13-4-2-1-3-5-13)17-11-16(24)7-9-19(17)27-21/h1-11,27H,12H2,(H,26,28).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 441.28 g/mol, XLogP of 5.81, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 21014528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).