(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-methyl-1,2-oxazol-3-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

C23H22ClFN4O4 — CID 68820034

IUPAC(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-methyl-1,2-oxazol-3-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCO[C@@H]1C[C@H](C(=O)Nc2ccc(-c3nocc3C)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H22ClFN4O4/c1-13-12-33-28-21(13)14-3-8-19(18(25)9-14)27-22(30)20-10-17(32-2)11-29(20)23(31)26-16-6-4-15(24)5-7-16/h3-9,12,17,20H,10-11H2,1-2H3,(H,26,31)(H,27,30)/t17-,20-/m1/s1
InChIKeyQRFAQTCUNUSKDE-YLJYHZDGSA-N
MW472.90 g/mol
LogP4.70
Rot. Bonds5

About (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-methyl-1,2-oxazol-3-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-methyl-1,2-oxazol-3-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (PubChem CID 68820034) has the molecular formula C23H22ClFN4O4 and a molecular weight of 472.90 g/mol. Its IUPAC name is (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-methyl-1,2-oxazol-3-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-methyl-1,2-oxazol-3-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
PubChem CID68820034
Molecular FormulaC23H22ClFN4O4
Molecular Weight472.90 g/mol
Exact Mass472.13
IUPAC Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-methyl-1,2-oxazol-3-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCO[C@@H]1C[C@H](C(=O)Nc2ccc(-c3nocc3C)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H22ClFN4O4/c1-13-12-33-28-21(13)14-3-8-19(18(25)9-14)27-22(30)20-10-17(32-2)11-29(20)23(31)26-16-6-4-15(24)5-7-16/h3-9,12,17,20H,10-11H2,1-2H3,(H,26,31)(H,27,30)/t17-,20-/m1/s1
InChIKeyQRFAQTCUNUSKDE-YLJYHZDGSA-N
XLogP4.70
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.90
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,2-oxazole-4-carboxylic acid
CID 68807474
4-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]thiophene-3-carboxylic acid
CID 22181625
(2R,4R)-2-N-[4-(5-chloro-2-oxo-1-pyridinyl)-2-fluorophenyl]-1-N-(4-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 59768169
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-hydroxy-2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68808052
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 10311348
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 21026057
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-methyl-3-nitro-2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 87736921
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[ethyl(propan-2-yl)carbamoyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68808029
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(5,5-dimethyl-2-oxo-3-propan-2-ylimidazolidin-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68807963
2-N-[4-[2-(aminomethyl)-5-oxo-2H-pyrrol-1-yl]-2-fluorophenyl]-1-N-(4-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 10128319
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-oxofuro[3,2-c]pyridin-5-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 69215112
(2R,4R)-2-N-[4-(3-benzoyl-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-1-N-(4-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68913283

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-methyl-1,2-oxazol-3-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-methyl-1,2-oxazol-3-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (CID 68820034) is (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-methyl-1,2-oxazol-3-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-methyl-1,2-oxazol-3-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-methyl-1,2-oxazol-3-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is CO[C@@H]1C[C@H](C(=O)Nc2ccc(-c3nocc3C)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-methyl-1,2-oxazol-3-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The InChIKey is QRFAQTCUNUSKDE-YLJYHZDGSA-N. The full InChI is InChI=1S/C23H22ClFN4O4/c1-13-12-33-28-21(13)14-3-8-19(18(25)9-14)27-22(30)20-10-17(32-2)11-29(20)23(31)26-16-6-4-15(24)5-7-16/h3-9,12,17,20H,10-11H2,1-2H3,(H,26,31)(H,27,30)/t17-,20-/m1/s1.
What are the key properties of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-methyl-1,2-oxazol-3-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-methyl-1,2-oxazol-3-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 472.90 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-methyl-1,2-oxazol-3-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 68820034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).