(4-fluorophenyl)-[5-[(2-fluorophenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone

C20H17F2NO — CID 140996347

IUPAC(4-fluorophenyl)-[5-[(2-fluorophenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone
SMILESCc1cc(Cc2ccccc2F)n(C)c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H17F2NO/c1-13-11-17(12-15-5-3-4-6-18(15)22)23(2)19(13)20(24)14-7-9-16(21)10-8-14/h3-11H,12H2,1-2H3
InChIKeyPDPLQMSKDPJTDE-UHFFFAOYSA-N
MW325.36 g/mol
LogP4.43
Rot. Bonds4

About (4-fluorophenyl)-[5-[(2-fluorophenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone

(4-fluorophenyl)-[5-[(2-fluorophenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone (PubChem CID 140996347) has the molecular formula C20H17F2NO and a molecular weight of 325.36 g/mol. Its IUPAC name is (4-fluorophenyl)-[5-[(2-fluorophenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[5-[(2-fluorophenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone
PubChem CID140996347
Molecular FormulaC20H17F2NO
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(4-fluorophenyl)-[5-[(2-fluorophenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone
SMILESCc1cc(Cc2ccccc2F)n(C)c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H17F2NO/c1-13-11-17(12-15-5-3-4-6-18(15)22)23(2)19(13)20(24)14-7-9-16(21)10-8-14/h3-11H,12H2,1-2H3
InChIKeyPDPLQMSKDPJTDE-UHFFFAOYSA-N
XLogP4.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]-N-pyridin-2-ylacetamide
CID 13277467
2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid
CID 67705084
1-[[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]methyl]-1,3-diphenylurea
CID 67611339
N-[4-[[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]methyl]phenyl]-2-hydroxyethanesulfonamide
CID 70103781
6-[[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]methyl]-2-(2-chloroethyl)pyridazin-3-one
CID 67722309
2-[2-(4-fluorobenzoyl)phenyl]acetic acid
CID 132556862
3-(5-benzoyl-1,4-dimethylpyrrol-2-yl)-2-phenylpropane-1-sulfonamide
CID 67611251
(2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate
CID 63283831
4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide
CID 166317910
(2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate
CID 52515102
3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432295
N-[4-[[1,4-dimethyl-5-(2-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]methanesulfonamide
CID 70101609

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[5-[(2-fluorophenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[5-[(2-fluorophenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone (CID 140996347) is (4-fluorophenyl)-[5-[(2-fluorophenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[5-[(2-fluorophenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[5-[(2-fluorophenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone is Cc1cc(Cc2ccccc2F)n(C)c1C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[5-[(2-fluorophenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone?
The InChIKey is PDPLQMSKDPJTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO/c1-13-11-17(12-15-5-3-4-6-18(15)22)23(2)19(13)20(24)14-7-9-16(21)10-8-14/h3-11H,12H2,1-2H3.
What are the key properties of (4-fluorophenyl)-[5-[(2-fluorophenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone?
(4-fluorophenyl)-[5-[(2-fluorophenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone has a molecular weight of 325.36 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[5-[(2-fluorophenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone is sourced from PubChem (CID 140996347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).