N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-chloro-2-pyrrolidin-1-ylanilino)acetamide

C20H23Cl2N3O3 — CID 41397519

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-(5-chloro-2-pyrrolidin-1-ylanilino)acetamide
SMILESCOc1cc(OC)c(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)cc1Cl
InChIInChI=1S/C20H23Cl2N3O3/c1-27-18-11-19(28-2)16(10-14(18)22)24-20(26)12-23-15-9-13(21)5-6-17(15)25-7-3-4-8-25/h5-6,9-11,23H,3-4,7-8,12H2,1-2H3,(H,24,26)
InChIKeyYQHQNGQDASPMIF-UHFFFAOYSA-N
MW424.33 g/mol
LogP4.66
Rot. Bonds7

About N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-chloro-2-pyrrolidin-1-ylanilino)acetamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-chloro-2-pyrrolidin-1-ylanilino)acetamide (PubChem CID 41397519) has the molecular formula C20H23Cl2N3O3 and a molecular weight of 424.33 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-chloro-2-pyrrolidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(5-chloro-2-pyrrolidin-1-ylanilino)acetamide
PubChem CID41397519
Molecular FormulaC20H23Cl2N3O3
Molecular Weight424.33 g/mol
Exact Mass423.11
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(5-chloro-2-pyrrolidin-1-ylanilino)acetamide
SMILESCOc1cc(OC)c(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)cc1Cl
InChIInChI=1S/C20H23Cl2N3O3/c1-27-18-11-19(28-2)16(10-14(18)22)24-20(26)12-23-15-9-13(21)5-6-17(15)25-7-3-4-8-25/h5-6,9-11,23H,3-4,7-8,12H2,1-2H3,(H,24,26)
InChIKeyYQHQNGQDASPMIF-UHFFFAOYSA-N
XLogP4.66
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 55917555
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
2-[5-chloro-2-[4-(hydroxymethyl)piperidin-1-yl]anilino]-N-(2-methoxyphenyl)acetamide
CID 71848299
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2452642
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide
CID 47108337
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 26292366
2-(5-chloro-2-methoxyanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 99144350
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292
N-(2,4-dimethoxyphenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide
CID 24615039
2-(5-chloro-2-methoxyanilino)-N-(2,4-dichlorophenyl)acetamide
CID 9099077
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide
CID 109011166
N-(3-chloro-4-methoxyphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 60536287

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-chloro-2-pyrrolidin-1-ylanilino)acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-chloro-2-pyrrolidin-1-ylanilino)acetamide (CID 41397519) is N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-chloro-2-pyrrolidin-1-ylanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-chloro-2-pyrrolidin-1-ylanilino)acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-chloro-2-pyrrolidin-1-ylanilino)acetamide is COc1cc(OC)c(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-chloro-2-pyrrolidin-1-ylanilino)acetamide?
The InChIKey is YQHQNGQDASPMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O3/c1-27-18-11-19(28-2)16(10-14(18)22)24-20(26)12-23-15-9-13(21)5-6-17(15)25-7-3-4-8-25/h5-6,9-11,23H,3-4,7-8,12H2,1-2H3,(H,24,26).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-chloro-2-pyrrolidin-1-ylanilino)acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-chloro-2-pyrrolidin-1-ylanilino)acetamide has a molecular weight of 424.33 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-chloro-2-pyrrolidin-1-ylanilino)acetamide is sourced from PubChem (CID 41397519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).