6-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1H-indole-2-carboxamide

C17H13BrFN3O2 — CID 87045715

IUPAC6-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1H-indole-2-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C17H13BrFN3O2/c1-8-12(19)4-10(16(20)23)6-13(8)22-17(24)15-5-9-2-3-11(18)7-14(9)21-15/h2-7,21H,1H3,(H2,20,23)(H,22,24)
InChIKeyYITZVQRVCWCVJV-UHFFFAOYSA-N
MW390.21 g/mol
LogP3.73
Rot. Bonds3

About 6-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1H-indole-2-carboxamide

6-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1H-indole-2-carboxamide (PubChem CID 87045715) has the molecular formula C17H13BrFN3O2 and a molecular weight of 390.21 g/mol. Its IUPAC name is 6-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1H-indole-2-carboxamide
PubChem CID87045715
Molecular FormulaC17H13BrFN3O2
Molecular Weight390.21 g/mol
Exact Mass389.02
IUPAC Name6-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1H-indole-2-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C17H13BrFN3O2/c1-8-12(19)4-10(16(20)23)6-13(8)22-17(24)15-5-9-2-3-11(18)7-14(9)21-15/h2-7,21H,1H3,(H2,20,23)(H,22,24)
InChIKeyYITZVQRVCWCVJV-UHFFFAOYSA-N
XLogP3.73
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.21
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-(2-fluorophenyl)-1H-indole-2-carboxamide
CID 47155114
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107362899
6-bromo-N-(2-hydroxy-3-methylphenyl)-1H-indole-2-carboxamide
CID 159678407
6-bromo-N-(3-bromophenyl)-1H-indole-2-carboxamide
CID 175535404
3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide
CID 60786943
N-(4-bromo-2-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207179
6-bromo-N-(4,5-dimethyl-2-nitrophenyl)-1H-indole-2-carboxamide
CID 157439113
5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide
CID 47244153
6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 60555509
N-[4-(2-amino-2-oxoethyl)phenyl]-6-bromo-1H-indole-2-carboxamide
CID 31861888
3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 86992287
6-bromo-N-(2-propoxyphenyl)-1H-indole-2-carboxamide
CID 55566139

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1H-indole-2-carboxamide (CID 87045715) is 6-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1H-indole-2-carboxamide is Cc1c(F)cc(C(N)=O)cc1NC(=O)c1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1H-indole-2-carboxamide?
The InChIKey is YITZVQRVCWCVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O2/c1-8-12(19)4-10(16(20)23)6-13(8)22-17(24)15-5-9-2-3-11(18)7-14(9)21-15/h2-7,21H,1H3,(H2,20,23)(H,22,24).
What are the key properties of 6-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1H-indole-2-carboxamide?
6-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1H-indole-2-carboxamide has a molecular weight of 390.21 g/mol, XLogP of 3.73, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 87045715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).