1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide

C19H14BrF3N2O — CID 2768171

IUPAC1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cccn1-c1ccc(Br)cc1
InChIInChI=1S/C19H14BrF3N2O/c20-15-6-8-16(9-7-15)25-10-2-5-17(25)18(26)24-12-13-3-1-4-14(11-13)19(21,22)23/h1-11H,12H2,(H,24,26)
InChIKeyMLMDUJGLBDVVLS-UHFFFAOYSA-N
MW423.23 g/mol
LogP5.19
Rot. Bonds4

About 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide

1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide (PubChem CID 2768171) has the molecular formula C19H14BrF3N2O and a molecular weight of 423.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
PubChem CID2768171
Molecular FormulaC19H14BrF3N2O
Molecular Weight423.23 g/mol
Exact Mass422.02
IUPAC Name1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cccn1-c1ccc(Br)cc1
InChIInChI=1S/C19H14BrF3N2O/c20-15-6-8-16(9-7-15)25-10-2-5-17(25)18(26)24-12-13-3-1-4-14(11-13)19(21,22)23/h1-11H,12H2,(H,24,26)
InChIKeyMLMDUJGLBDVVLS-UHFFFAOYSA-N
XLogP5.19
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.23
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-(1-methylpyrrol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 42759501
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 43642800
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
1,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35763919
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
N-[(3,5-dichlorophenyl)methyl]-1-phenylpyrrole-2-carboxamide
CID 168950666
N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 17436374
5-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 115330327

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide (CID 2768171) is 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1cccn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
The InChIKey is MLMDUJGLBDVVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrF3N2O/c20-15-6-8-16(9-7-15)25-10-2-5-17(25)18(26)24-12-13-3-1-4-14(11-13)19(21,22)23/h1-11H,12H2,(H,24,26).
What are the key properties of 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide has a molecular weight of 423.23 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 2768171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).