N-(4-bromo-2-methoxyphenyl)-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C21H23BrN2O3 — CID 167456217

IUPACN-(4-bromo-2-methoxyphenyl)-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(Br)ccc1NC(=O)C1(c2ccccc2C(C)C)CNC(=O)C1
InChIInChI=1S/C21H23BrN2O3/c1-13(2)15-6-4-5-7-16(15)21(11-19(25)23-12-21)20(26)24-17-9-8-14(22)10-18(17)27-3/h4-10,13H,11-12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyIQCDXDAPBWMVHF-UHFFFAOYSA-N
MW431.33 g/mol
LogP3.98
Rot. Bonds5

About N-(4-bromo-2-methoxyphenyl)-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-(4-bromo-2-methoxyphenyl)-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 167456217) has the molecular formula C21H23BrN2O3 and a molecular weight of 431.33 g/mol. Its IUPAC name is N-(4-bromo-2-methoxyphenyl)-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methoxyphenyl)-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID167456217
Molecular FormulaC21H23BrN2O3
Molecular Weight431.33 g/mol
Exact Mass430.09
IUPAC NameN-(4-bromo-2-methoxyphenyl)-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(Br)ccc1NC(=O)C1(c2ccccc2C(C)C)CNC(=O)C1
InChIInChI=1S/C21H23BrN2O3/c1-13(2)15-6-4-5-7-16(15)21(11-19(25)23-12-21)20(26)24-17-9-8-14(22)10-18(17)27-3/h4-10,13H,11-12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyIQCDXDAPBWMVHF-UHFFFAOYSA-N
XLogP3.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.33
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(fluoromethyl)-2-methoxyphenyl]-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 167456285
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
N-[5-bromo-3-(difluoromethoxy)-2-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 146265780
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
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
(3S)-N-(4-bromo-2-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97084480
N-(4-bromo-2-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 19845044
4-[3-[(5-bromo-3-methoxy-2-pyridinyl)carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 146265852
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

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methoxyphenyl)-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-methoxyphenyl)-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 167456217) is N-(4-bromo-2-methoxyphenyl)-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methoxyphenyl)-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-methoxyphenyl)-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide is COc1cc(Br)ccc1NC(=O)C1(c2ccccc2C(C)C)CNC(=O)C1.
What is the InChIKey of N-(4-bromo-2-methoxyphenyl)-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is IQCDXDAPBWMVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O3/c1-13(2)15-6-4-5-7-16(15)21(11-19(25)23-12-21)20(26)24-17-9-8-14(22)10-18(17)27-3/h4-10,13H,11-12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-bromo-2-methoxyphenyl)-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-(4-bromo-2-methoxyphenyl)-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 431.33 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methoxyphenyl)-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 167456217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).