2,4-dichloro-N-[2-[[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide

C23H25Cl2N3O5 — CID 55440910

IUPAC2,4-dichloro-N-[2-[[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C2CCCN2C(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C23H25Cl2N3O5/c1-32-15-6-8-17(20(11-15)33-2)19-4-3-9-28(19)22(30)13-26-21(29)12-27-23(31)16-7-5-14(24)10-18(16)25/h5-8,10-11,19H,3-4,9,12-13H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyNJQREXDSFYKHNB-UHFFFAOYSA-N
MW494.38 g/mol
LogP3.22
Rot. Bonds8

About 2,4-dichloro-N-[2-[[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 55440910) has the molecular formula C23H25Cl2N3O5 and a molecular weight of 494.38 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID55440910
Molecular FormulaC23H25Cl2N3O5
Molecular Weight494.38 g/mol
Exact Mass493.12
IUPAC Name2,4-dichloro-N-[2-[[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C2CCCN2C(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C23H25Cl2N3O5/c1-32-15-6-8-17(20(11-15)33-2)19-4-3-9-28(19)22(30)13-26-21(29)12-27-23(31)16-7-5-14(24)10-18(16)25/h5-8,10-11,19H,3-4,9,12-13H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyNJQREXDSFYKHNB-UHFFFAOYSA-N
XLogP3.22
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 75404379
N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 46411403
N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 17473150
(2R)-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 95276109
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(methylamino)butan-1-one
CID 119693379
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
(2S,3S)-2-[[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122100135
2,4-dichloro-N-[2-[[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 55655097
ethyl N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]carbamate
CID 55683726
4-chloro-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 55441059
2-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-1-carboxamide
CID 60614114
2-[[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8857011

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 55440910) is 2,4-dichloro-N-[2-[[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide is COc1ccc(C2CCCN2C(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c(OC)c1.
What is the InChIKey of 2,4-dichloro-N-[2-[[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is NJQREXDSFYKHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O5/c1-32-15-6-8-17(20(11-15)33-2)19-4-3-9-28(19)22(30)13-26-21(29)12-27-23(31)16-7-5-14(24)10-18(16)25/h5-8,10-11,19H,3-4,9,12-13H2,1-2H3,(H,26,29)(H,27,31).
What are the key properties of 2,4-dichloro-N-[2-[[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 494.38 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55440910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).