N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoro-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide

C26H23ClF2N2O3 — CID 140887052

IUPACN-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoro-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide
SMILESCOc1cccc(CC(=O)N2CC(F)CC2C(=O)Nc2cccc(-c3ccccc3Cl)c2F)c1
InChIInChI=1S/C26H23ClF2N2O3/c1-34-18-7-4-6-16(12-18)13-24(32)31-15-17(28)14-23(31)26(33)30-22-11-5-9-20(25(22)29)19-8-2-3-10-21(19)27/h2-12,17,23H,13-15H2,1H3,(H,30,33)
InChIKeyVSPABMMKNZIWDV-UHFFFAOYSA-N
MW484.93 g/mol
LogP5.27
Rot. Bonds6

About N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoro-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide

N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoro-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 140887052) has the molecular formula C26H23ClF2N2O3 and a molecular weight of 484.93 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoro-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoro-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide
PubChem CID140887052
Molecular FormulaC26H23ClF2N2O3
Molecular Weight484.93 g/mol
Exact Mass484.14
IUPAC NameN-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoro-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide
SMILESCOc1cccc(CC(=O)N2CC(F)CC2C(=O)Nc2cccc(-c3ccccc3Cl)c2F)c1
InChIInChI=1S/C26H23ClF2N2O3/c1-34-18-7-4-6-16(12-18)13-24(32)31-15-17(28)14-23(31)26(33)30-22-11-5-9-20(25(22)29)19-8-2-3-10-21(19)27/h2-12,17,23H,13-15H2,1H3,(H,30,33)
InChIKeyVSPABMMKNZIWDV-UHFFFAOYSA-N
XLogP5.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.93
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-1-[2-(4-chloro-3-cyanophenyl)acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide
CID 126622589
(2S,4R)-1-[2-(6-acetylthieno[2,3-b]pyrrol-4-yl)acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide
CID 118323385
3-[2-[(2S,4R)-2-[2-[3-(2-chlorophenyl)-2-fluorophenyl]acetyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-hydroxybenzamide;3-[2-[(2S,4R)-2-[2-[3-(2-chlorophenyl)-2-fluorophenyl]acetyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-methoxybenzamide
CID 159156050
(2S,4R)-1-[2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide
CID 118324786
1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methoxypyrimidin-5-yl)indole-3-carboxamide
CID 118334297
2-[3-(2-chlorophenyl)-2-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-[2-[3-methoxy-5-(2-methylpyrimidin-5-yl)phenyl]acetyl]pyrrolidin-2-yl]ethanone
CID 157215402
2-[2-[2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-4-(2-methoxypyrimidin-5-yl)-3-methyl-3,4-dihydropyrazole-5-carboxamide
CID 123726327
1-[2-[2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-methylthieno[3,2-c]pyrazole-3-carboxamide
CID 123935620
1-[2-(3-acetyl-7-cyclopropylindol-1-yl)acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide
CID 123295574
1-[2-[3-acetyl-5-(3,3,3-trifluoropropanoylamino)indol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide
CID 123489032
(2S,4R)-1-[2-[3-acetyl-5-[2-(2-methoxyethylamino)pyrimidin-5-yl]indol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide
CID 118323428
tert-butyl (2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamothioyl]-4-fluoropyrrolidine-1-carboxylate
CID 126647433

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoro-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoro-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide (CID 140887052) is N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoro-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoro-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoro-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide is COc1cccc(CC(=O)N2CC(F)CC2C(=O)Nc2cccc(-c3ccccc3Cl)c2F)c1.
What is the InChIKey of N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoro-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is VSPABMMKNZIWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF2N2O3/c1-34-18-7-4-6-16(12-18)13-24(32)31-15-17(28)14-23(31)26(33)30-22-11-5-9-20(25(22)29)19-8-2-3-10-21(19)27/h2-12,17,23H,13-15H2,1H3,(H,30,33).
What are the key properties of N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoro-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide?
N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoro-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 484.93 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoro-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 140887052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).