2-(4-bromophenyl)-4-(3-methylindol-1-yl)-2-phenyl-N-propan-2-ylbutanamide

C28H29BrN2O — CID 72946730

IUPAC2-(4-bromophenyl)-4-(3-methylindol-1-yl)-2-phenyl-N-propan-2-ylbutanamide
SMILESCc1cn(CCC(C(=O)NC(C)C)(c2ccccc2)c2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C28H29BrN2O/c1-20(2)30-27(32)28(22-9-5-4-6-10-22,23-13-15-24(29)16-14-23)17-18-31-19-21(3)25-11-7-8-12-26(25)31/h4-16,19-20H,17-18H2,1-3H3,(H,30,32)
InChIKeyCRPHRCIZFQRVBH-UHFFFAOYSA-N
MW489.46 g/mol
LogP6.61
Rot. Bonds7

About 2-(4-bromophenyl)-4-(3-methylindol-1-yl)-2-phenyl-N-propan-2-ylbutanamide

2-(4-bromophenyl)-4-(3-methylindol-1-yl)-2-phenyl-N-propan-2-ylbutanamide (PubChem CID 72946730) has the molecular formula C28H29BrN2O and a molecular weight of 489.46 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(3-methylindol-1-yl)-2-phenyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(3-methylindol-1-yl)-2-phenyl-N-propan-2-ylbutanamide
PubChem CID72946730
Molecular FormulaC28H29BrN2O
Molecular Weight489.46 g/mol
Exact Mass488.15
IUPAC Name2-(4-bromophenyl)-4-(3-methylindol-1-yl)-2-phenyl-N-propan-2-ylbutanamide
SMILESCc1cn(CCC(C(=O)NC(C)C)(c2ccccc2)c2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C28H29BrN2O/c1-20(2)30-27(32)28(22-9-5-4-6-10-22,23-13-15-24(29)16-14-23)17-18-31-19-21(3)25-11-7-8-12-26(25)31/h4-16,19-20H,17-18H2,1-3H3,(H,30,32)
InChIKeyCRPHRCIZFQRVBH-UHFFFAOYSA-N
XLogP6.61
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.46
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(3-methylindol-1-yl)-2-phenyl-N-propan-2-ylbutanamide?
The IUPAC name of 2-(4-bromophenyl)-4-(3-methylindol-1-yl)-2-phenyl-N-propan-2-ylbutanamide (CID 72946730) is 2-(4-bromophenyl)-4-(3-methylindol-1-yl)-2-phenyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-(4-bromophenyl)-4-(3-methylindol-1-yl)-2-phenyl-N-propan-2-ylbutanamide?
The canonical SMILES for 2-(4-bromophenyl)-4-(3-methylindol-1-yl)-2-phenyl-N-propan-2-ylbutanamide is Cc1cn(CCC(C(=O)NC(C)C)(c2ccccc2)c2ccc(Br)cc2)c2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-4-(3-methylindol-1-yl)-2-phenyl-N-propan-2-ylbutanamide?
The InChIKey is CRPHRCIZFQRVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29BrN2O/c1-20(2)30-27(32)28(22-9-5-4-6-10-22,23-13-15-24(29)16-14-23)17-18-31-19-21(3)25-11-7-8-12-26(25)31/h4-16,19-20H,17-18H2,1-3H3,(H,30,32).
What are the key properties of 2-(4-bromophenyl)-4-(3-methylindol-1-yl)-2-phenyl-N-propan-2-ylbutanamide?
2-(4-bromophenyl)-4-(3-methylindol-1-yl)-2-phenyl-N-propan-2-ylbutanamide has a molecular weight of 489.46 g/mol, XLogP of 6.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(3-methylindol-1-yl)-2-phenyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 72946730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).