4-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide

C19H24BrN3O2 — CID 78895679

IUPAC4-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)c2cc(Br)cn2C(C)C)cc1
InChIInChI=1S/C19H24BrN3O2/c1-12(2)18(24)22-16-7-5-14(6-8-16)10-21-19(25)17-9-15(20)11-23(17)13(3)4/h5-9,11-13H,10H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyWXDBZFMMZITSRP-UHFFFAOYSA-N
MW406.32 g/mol
LogP4.36
Rot. Bonds6

About 4-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 78895679) has the molecular formula C19H24BrN3O2 and a molecular weight of 406.32 g/mol. Its IUPAC name is 4-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID78895679
Molecular FormulaC19H24BrN3O2
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Name4-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)c2cc(Br)cn2C(C)C)cc1
InChIInChI=1S/C19H24BrN3O2/c1-12(2)18(24)22-16-7-5-14(6-8-16)10-21-19(25)17-9-15(20)11-23(17)13(3)4/h5-9,11-13H,10H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyWXDBZFMMZITSRP-UHFFFAOYSA-N
XLogP4.36
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640158
N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 60954488
N-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide
CID 43230530
5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 51333269
4-bromo-N-but-2-ynyl-1-propan-2-ylpyrrole-2-carboxamide
CID 115866879
4-bromo-N-[(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62308582
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 103861005
4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 36557221
4-bromo-N-(4-methylpentyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54913924
N-(3-aminobutyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 63253541
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-methylsulfinylbenzamide
CID 51334218
3-iodo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 18204122

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 78895679) is 4-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)C(=O)Nc1ccc(CNC(=O)c2cc(Br)cn2C(C)C)cc1.
What is the InChIKey of 4-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is WXDBZFMMZITSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O2/c1-12(2)18(24)22-16-7-5-14(6-8-16)10-21-19(25)17-9-15(20)11-23(17)13(3)4/h5-9,11-13H,10H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of 4-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 406.32 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 78895679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).