4-(3-chlorophenoxy)-3-(methylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)benzamide

C21H26ClN3O2 — CID 24946496

IUPAC4-(3-chlorophenoxy)-3-(methylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCNCc1cc(C(=O)NCCN2CCCC2)ccc1Oc1cccc(Cl)c1
InChIInChI=1S/C21H26ClN3O2/c1-23-15-17-13-16(21(26)24-9-12-25-10-2-3-11-25)7-8-20(17)27-19-6-4-5-18(22)14-19/h4-8,13-14,23H,2-3,9-12,15H2,1H3,(H,24,26)
InChIKeyYVPJWBIFPNWSEI-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.68
Rot. Bonds8

About 4-(3-chlorophenoxy)-3-(methylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)benzamide

4-(3-chlorophenoxy)-3-(methylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 24946496) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-3-(methylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-3-(methylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID24946496
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name4-(3-chlorophenoxy)-3-(methylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCNCc1cc(C(=O)NCCN2CCCC2)ccc1Oc1cccc(Cl)c1
InChIInChI=1S/C21H26ClN3O2/c1-23-15-17-13-16(21(26)24-9-12-25-10-2-3-11-25)7-8-20(17)27-19-6-4-5-18(22)14-19/h4-8,13-14,23H,2-3,9-12,15H2,1H3,(H,24,26)
InChIKeyYVPJWBIFPNWSEI-UHFFFAOYSA-N
XLogP3.68
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 79725500
3-[(2,4-dichlorophenyl)carbamoylamino]-4-(3,4-dimethylphenoxy)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 11533966
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide
CID 22322400
2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 86990582
2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide
CID 69277588
3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 10452834
4-amino-3-(3-chlorophenoxy)-N-propylbenzamide;ethane
CID 143138979
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103734735

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-3-(methylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-(3-chlorophenoxy)-3-(methylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 24946496) is 4-(3-chlorophenoxy)-3-(methylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-(3-chlorophenoxy)-3-(methylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-(3-chlorophenoxy)-3-(methylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)benzamide is CNCc1cc(C(=O)NCCN2CCCC2)ccc1Oc1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenoxy)-3-(methylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is YVPJWBIFPNWSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-23-15-17-13-16(21(26)24-9-12-25-10-2-3-11-25)7-8-20(17)27-19-6-4-5-18(22)14-19/h4-8,13-14,23H,2-3,9-12,15H2,1H3,(H,24,26).
What are the key properties of 4-(3-chlorophenoxy)-3-(methylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
4-(3-chlorophenoxy)-3-(methylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 387.91 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-3-(methylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 24946496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).