5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(dimethylamino)-N-propylbenzamide

C20H24ClN3O3 — CID 3297823

IUPAC5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(dimethylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)COc2ccc(Cl)cc2)ccc1N(C)C
InChIInChI=1S/C20H24ClN3O3/c1-4-11-22-20(26)17-12-15(7-10-18(17)24(2)3)23-19(25)13-27-16-8-5-14(21)6-9-16/h5-10,12H,4,11,13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyAKZMPAGEKADVOQ-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.56
Rot. Bonds8

About 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(dimethylamino)-N-propylbenzamide

5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(dimethylamino)-N-propylbenzamide (PubChem CID 3297823) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(dimethylamino)-N-propylbenzamide.

Molecular Properties

Compound Name5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(dimethylamino)-N-propylbenzamide
PubChem CID3297823
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(dimethylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)COc2ccc(Cl)cc2)ccc1N(C)C
InChIInChI=1S/C20H24ClN3O3/c1-4-11-22-20(26)17-12-15(7-10-18(17)24(2)3)23-19(25)13-27-16-8-5-14(21)6-9-16/h5-10,12H,4,11,13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyAKZMPAGEKADVOQ-UHFFFAOYSA-N
XLogP3.56
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 3943330
5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 5145883
2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide
CID 3417510
2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide
CID 3535205
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 13140655
2-(4-chlorophenoxy)-N-[4-[2-(dimethylamino)ethylamino]phenyl]acetamide
CID 112981318
N-(4-chlorophenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 5185109
5-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3931057
4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218749
N-[4-(dimethylamino)-3-methylphenyl]-2-(4-iodophenoxy)acetamide
CID 55652450
2-(4-chlorophenoxy)-N-[4-(2-methoxyethylamino)phenyl]acetamide
CID 112980930
5-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4993891

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(dimethylamino)-N-propylbenzamide?
The IUPAC name of 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(dimethylamino)-N-propylbenzamide (CID 3297823) is 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(dimethylamino)-N-propylbenzamide.
What is the SMILES notation for 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(dimethylamino)-N-propylbenzamide?
The canonical SMILES for 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(dimethylamino)-N-propylbenzamide is CCCNC(=O)c1cc(NC(=O)COc2ccc(Cl)cc2)ccc1N(C)C.
What is the InChIKey of 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(dimethylamino)-N-propylbenzamide?
The InChIKey is AKZMPAGEKADVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-4-11-22-20(26)17-12-15(7-10-18(17)24(2)3)23-19(25)13-27-16-8-5-14(21)6-9-16/h5-10,12H,4,11,13H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(dimethylamino)-N-propylbenzamide?
5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(dimethylamino)-N-propylbenzamide has a molecular weight of 389.88 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(dimethylamino)-N-propylbenzamide is sourced from PubChem (CID 3297823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).