4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide

C17H18ClN3O4 — CID 46633585

IUPAC4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide
SMILESCOc1cc(NCC(=O)Nc2ccc(C(N)=O)cc2)c(OC)cc1Cl
InChIInChI=1S/C17H18ClN3O4/c1-24-14-8-13(15(25-2)7-12(14)18)20-9-16(22)21-11-5-3-10(4-6-11)17(19)23/h3-8,20H,9H2,1-2H3,(H2,19,23)(H,21,22)
InChIKeyIWDGVBYFVMGSPF-UHFFFAOYSA-N
MW363.80 g/mol
LogP2.51
Rot. Bonds7

About 4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide

4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide (PubChem CID 46633585) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is 4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide
PubChem CID46633585
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC Name4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide
SMILESCOc1cc(NCC(=O)Nc2ccc(C(N)=O)cc2)c(OC)cc1Cl
InChIInChI=1S/C17H18ClN3O4/c1-24-14-8-13(15(25-2)7-12(14)18)20-9-16(22)21-11-5-3-10(4-6-11)17(19)23/h3-8,20H,9H2,1-2H3,(H2,19,23)(H,21,22)
InChIKeyIWDGVBYFVMGSPF-UHFFFAOYSA-N
XLogP2.51
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
CID 26531357
2-(4-chloro-2,5-dimethoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 9106808
N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 28572784
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dichloroanilino)acetamide
CID 42026344
4-[[2-(5-chloro-2-methoxy-3-methylsulfonylanilino)acetyl]amino]benzamide
CID 22305357
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,5-dimethoxyanilino)acetamide
CID 109009482
2-(4-chloro-2-methoxy-5-methylanilino)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 9102876
2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide
CID 31054802
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-ethylphenyl)acetamide
CID 109007659
N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 4885055

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide (CID 46633585) is 4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide is COc1cc(NCC(=O)Nc2ccc(C(N)=O)cc2)c(OC)cc1Cl.
What is the InChIKey of 4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide?
The InChIKey is IWDGVBYFVMGSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c1-24-14-8-13(15(25-2)7-12(14)18)20-9-16(22)21-11-5-3-10(4-6-11)17(19)23/h3-8,20H,9H2,1-2H3,(H2,19,23)(H,21,22).
What are the key properties of 4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide?
4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide has a molecular weight of 363.80 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 46633585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).