N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide

C21H23ClN2O4 — CID 78888980

IUPACN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)c1
InChIInChI=1S/C21H23ClN2O4/c1-27-16-6-8-19(28-2)14(11-16)12-20(25)23-18-7-5-15(22)13-17(18)21(26)24-9-3-4-10-24/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,23,25)
InChIKeyNSTOSXDNAKKNEL-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.77
Rot. Bonds6

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

N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide (PubChem CID 78888980) has the molecular formula C21H23ClN2O4 and a molecular weight of 402.88 g/mol. Its IUPAC name is N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
PubChem CID78888980
Molecular FormulaC21H23ClN2O4
Molecular Weight402.88 g/mol
Exact Mass402.13
IUPAC NameN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)c1
InChIInChI=1S/C21H23ClN2O4/c1-27-16-6-8-19(28-2)14(11-16)12-20(25)23-18-7-5-15(22)13-17(18)21(26)24-9-3-4-10-24/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,23,25)
InChIKeyNSTOSXDNAKKNEL-UHFFFAOYSA-N
XLogP3.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 17423898
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78806049
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide
CID 55776820
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 55726971
N-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804409
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide
CID 19701944
methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
5-chloro-2-[[2-(2-methoxyphenyl)acetyl]amino]benzoic acid
CID 2233630
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 37445813
2-(2,4-dichlorophenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2709356
3-chloro-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-methoxybenzenesulfonamide
CID 60534932
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide (CID 78888980) is N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(CC(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)c1.
What is the InChIKey of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is NSTOSXDNAKKNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4/c1-27-16-6-8-19(28-2)14(11-16)12-20(25)23-18-7-5-15(22)13-17(18)21(26)24-9-3-4-10-24/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,23,25).
What are the key properties of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide?
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 402.88 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 78888980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).