N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C20H21ClN2O4 — CID 42059549

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCOc1cc(OC)c(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1Cl
InChIInChI=1S/C20H21ClN2O4/c1-26-17-12-18(27-2)16(11-15(17)21)22-19(24)10-13-5-7-14(8-6-13)23-9-3-4-20(23)25/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,24)
InChIKeyOGIARQGEITUOIQ-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.67
Rot. Bonds6

About N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 42059549) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID42059549
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCOc1cc(OC)c(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1Cl
InChIInChI=1S/C20H21ClN2O4/c1-26-17-12-18(27-2)16(11-15(17)21)22-19(24)10-13-5-7-14(8-6-13)23-9-3-4-20(23)25/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,24)
InChIKeyOGIARQGEITUOIQ-UHFFFAOYSA-N
XLogP3.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-3-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]benzoate
CID 39969691
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110651208
2-(3,4-dimethoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686452
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate
CID 46659126
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9162811
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9042283
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110427902
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(2-propan-2-yloxyphenyl)acetamide
CID 39498449
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 55675256
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823558
2-methoxy-5-[[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]methyl]benzoic acid
CID 45384959
3-(3-chloro-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 55509816

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 42059549) is N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is COc1cc(OC)c(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is OGIARQGEITUOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-26-17-12-18(27-2)16(11-15(17)21)22-19(24)10-13-5-7-14(8-6-13)23-9-3-4-20(23)25/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,24).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 388.85 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 42059549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).