N-[4-(fluoromethyl)-2-methoxyphenyl]-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C22H25FN2O3 — CID 167456285

IUPACN-[4-(fluoromethyl)-2-methoxyphenyl]-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(CF)ccc1NC(=O)C1(c2ccccc2C(C)C)CNC(=O)C1
InChIInChI=1S/C22H25FN2O3/c1-14(2)16-6-4-5-7-17(16)22(11-20(26)24-13-22)21(27)25-18-9-8-15(12-23)10-19(18)28-3/h4-10,14H,11-13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyMLTWYBQUACFSKL-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.68
Rot. Bonds6

About N-[4-(fluoromethyl)-2-methoxyphenyl]-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-[4-(fluoromethyl)-2-methoxyphenyl]-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 167456285) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is N-[4-(fluoromethyl)-2-methoxyphenyl]-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(fluoromethyl)-2-methoxyphenyl]-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID167456285
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC NameN-[4-(fluoromethyl)-2-methoxyphenyl]-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(CF)ccc1NC(=O)C1(c2ccccc2C(C)C)CNC(=O)C1
InChIInChI=1S/C22H25FN2O3/c1-14(2)16-6-4-5-7-17(16)22(11-20(26)24-13-22)21(27)25-18-9-8-15(12-23)10-19(18)28-3/h4-10,14H,11-13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyMLTWYBQUACFSKL-UHFFFAOYSA-N
XLogP3.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methoxyphenyl)-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 167456217
N-(4-methoxy-6-propyl-3-pyridinyl)-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide
CID 167456144
N-(6-chloro-4-methoxy-3-pyridinyl)-3,3-dimethyl-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide
CID 167456287
tert-butyl 3-[(6-fluoro-4-methoxy-3-pyridinyl)carbamoyl]-3-(2-propan-2-ylphenyl)azetidine-1-carboxylate
CID 162720225
N-(2,6-dimethoxy-3-pyridinyl)-3-(hydroxymethyl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide
CID 167456140
N-[4-chloro-2-(difluoromethoxy)phenyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide
CID 167456360
methyl 4-[3-[(6-chloro-4-methoxy-3-pyridinyl)carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-2,2-dimethylbutanoate
CID 155743614
3-(2-amino-2-oxoethyl)-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide
CID 175840291
N-(6-chloro-4-methoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)-1-[2-(sulfamoylamino)ethyl]azetidine-3-carboxamide
CID 155743611
N-(6-chloro-4-methoxy-3-pyridinyl)-1-(2-hydroxy-3,4-dioxocyclobuten-1-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 155413280
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 3613341
2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid
CID 84679029

Frequently Asked Questions

What is the IUPAC name of N-[4-(fluoromethyl)-2-methoxyphenyl]-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(fluoromethyl)-2-methoxyphenyl]-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 167456285) is N-[4-(fluoromethyl)-2-methoxyphenyl]-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(fluoromethyl)-2-methoxyphenyl]-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(fluoromethyl)-2-methoxyphenyl]-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide is COc1cc(CF)ccc1NC(=O)C1(c2ccccc2C(C)C)CNC(=O)C1.
What is the InChIKey of N-[4-(fluoromethyl)-2-methoxyphenyl]-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is MLTWYBQUACFSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-14(2)16-6-4-5-7-17(16)22(11-20(26)24-13-22)21(27)25-18-9-8-15(12-23)10-19(18)28-3/h4-10,14H,11-13H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-(fluoromethyl)-2-methoxyphenyl]-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-[4-(fluoromethyl)-2-methoxyphenyl]-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(fluoromethyl)-2-methoxyphenyl]-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 167456285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).