6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide

C19H19BrN4O2 — CID 60555509

IUPAC6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
SMILESCC(C)NC(=O)Nc1ccccc1NC(=O)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C19H19BrN4O2/c1-11(2)21-19(26)24-15-6-4-3-5-14(15)23-18(25)17-9-12-7-8-13(20)10-16(12)22-17/h3-11,22H,1-2H3,(H,23,25)(H2,21,24,26)
InChIKeyRFAYBOVOODYGJJ-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.71
Rot. Bonds4

About 6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide

6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide (PubChem CID 60555509) has the molecular formula C19H19BrN4O2 and a molecular weight of 415.29 g/mol. Its IUPAC name is 6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
PubChem CID60555509
Molecular FormulaC19H19BrN4O2
Molecular Weight415.29 g/mol
Exact Mass414.07
IUPAC Name6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
SMILESCC(C)NC(=O)Nc1ccccc1NC(=O)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C19H19BrN4O2/c1-11(2)21-19(26)24-15-6-4-3-5-14(15)23-18(25)17-9-12-7-8-13(20)10-16(12)22-17/h3-11,22H,1-2H3,(H,23,25)(H2,21,24,26)
InChIKeyRFAYBOVOODYGJJ-UHFFFAOYSA-N
XLogP4.71
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-(2-fluorophenyl)-1H-indole-2-carboxamide
CID 47155114
6-bromo-N-(2-hydroxy-3-methylphenyl)-1H-indole-2-carboxamide
CID 159678407
6-bromo-N-(2-propoxyphenyl)-1H-indole-2-carboxamide
CID 55566139
6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002788
6-bromo-N-(3-bromophenyl)-1H-indole-2-carboxamide
CID 175535404
2-[(6-bromo-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid
CID 119188263
6-bromo-N-(4,5-dimethyl-2-nitrophenyl)-1H-indole-2-carboxamide
CID 157439113
6-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1H-indole-2-carboxamide
CID 87045715
6-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847855
1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea
CID 20972909
6-chloro-N-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 39499154
N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 134002747

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide (CID 60555509) is 6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide is CC(C)NC(=O)Nc1ccccc1NC(=O)c1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide?
The InChIKey is RFAYBOVOODYGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O2/c1-11(2)21-19(26)24-15-6-4-3-5-14(15)23-18(25)17-9-12-7-8-13(20)10-16(12)22-17/h3-11,22H,1-2H3,(H,23,25)(H2,21,24,26).
What are the key properties of 6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide?
6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide has a molecular weight of 415.29 g/mol, XLogP of 4.71, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 60555509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).