(3R)-N-(2-chloro-4-fluorophenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide

C20H18ClFN2O — CID 92709759

IUPAC(3R)-N-(2-chloro-4-fluorophenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCc1ccccc1[C@@H](CC(=O)Nc1ccc(F)cc1Cl)n1cccc1
InChIInChI=1S/C20H18ClFN2O/c1-14-6-2-3-7-16(14)19(24-10-4-5-11-24)13-20(25)23-18-9-8-15(22)12-17(18)21/h2-12,19H,13H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyXOOCLYXYLCHTEV-LJQANCHMSA-N
MW356.83 g/mol
LogP5.21
Rot. Bonds5

About (3R)-N-(2-chloro-4-fluorophenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide

(3R)-N-(2-chloro-4-fluorophenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 92709759) has the molecular formula C20H18ClFN2O and a molecular weight of 356.83 g/mol. Its IUPAC name is (3R)-N-(2-chloro-4-fluorophenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-(2-chloro-4-fluorophenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID92709759
Molecular FormulaC20H18ClFN2O
Molecular Weight356.83 g/mol
Exact Mass356.11
IUPAC Name(3R)-N-(2-chloro-4-fluorophenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCc1ccccc1[C@@H](CC(=O)Nc1ccc(F)cc1Cl)n1cccc1
InChIInChI=1S/C20H18ClFN2O/c1-14-6-2-3-7-16(14)19(24-10-4-5-11-24)13-20(25)23-18-9-8-15(22)12-17(18)21/h2-12,19H,13H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyXOOCLYXYLCHTEV-LJQANCHMSA-N
XLogP5.21
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.83
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(2-chloro-4-methylphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709707
(3R)-N-(2-chloro-4-methylphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709708
3-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342666
(3R)-N-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709163
N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide
CID 51253129
(3S)-N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709223
N-(4-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342927
5-(2-chloro-4-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 62964348
2-(benzhydrylamino)-N-(2-chloro-4-fluorophenyl)acetamide
CID 2441188
3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 46342926
(3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92710109
3-(2-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
CID 46342975

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-chloro-4-fluorophenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3R)-N-(2-chloro-4-fluorophenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide (CID 92709759) is (3R)-N-(2-chloro-4-fluorophenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3R)-N-(2-chloro-4-fluorophenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3R)-N-(2-chloro-4-fluorophenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide is Cc1ccccc1[C@@H](CC(=O)Nc1ccc(F)cc1Cl)n1cccc1.
What is the InChIKey of (3R)-N-(2-chloro-4-fluorophenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is XOOCLYXYLCHTEV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H18ClFN2O/c1-14-6-2-3-7-16(14)19(24-10-4-5-11-24)13-20(25)23-18-9-8-15(22)12-17(18)21/h2-12,19H,13H2,1H3,(H,23,25)/t19-/m1/s1.
What are the key properties of (3R)-N-(2-chloro-4-fluorophenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide?
(3R)-N-(2-chloro-4-fluorophenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 356.83 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-chloro-4-fluorophenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92709759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).