N-[(4-chlorophenyl)methyl]-2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide

C20H21Cl2N3O2 — CID 55897278

IUPACN-[(4-chlorophenyl)methyl]-2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESO=C(CNc1ccc(Cl)cc1C(=O)N1CCCC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H21Cl2N3O2/c21-15-5-3-14(4-6-15)12-24-19(26)13-23-18-8-7-16(22)11-17(18)20(27)25-9-1-2-10-25/h3-8,11,23H,1-2,9-10,12-13H2,(H,24,26)
InChIKeyWXJRHJJIKQYTMF-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.96
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide

N-[(4-chlorophenyl)methyl]-2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide (PubChem CID 55897278) has the molecular formula C20H21Cl2N3O2 and a molecular weight of 406.31 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide
PubChem CID55897278
Molecular FormulaC20H21Cl2N3O2
Molecular Weight406.31 g/mol
Exact Mass405.10
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESO=C(CNc1ccc(Cl)cc1C(=O)N1CCCC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H21Cl2N3O2/c21-15-5-3-14(4-6-15)12-24-19(26)13-23-18-8-7-16(22)11-17(18)20(27)25-9-1-2-10-25/h3-8,11,23H,1-2,9-10,12-13H2,(H,24,26)
InChIKeyWXJRHJJIKQYTMF-UHFFFAOYSA-N
XLogP3.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 55898307
2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 60536259
[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220
2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 29463616
2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2-methylcyclohexyl)acetamide
CID 60536841
azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone
CID 62248828
N-[3-[[[2-[5-chloro-2-(piperidine-1-carbonyl)anilino]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 60537264
azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone
CID 62173337
2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 55897405
4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide
CID 55727373
2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 29463689
2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 60537314

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide (CID 55897278) is N-[(4-chlorophenyl)methyl]-2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide is O=C(CNc1ccc(Cl)cc1C(=O)N1CCCC1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide?
The InChIKey is WXJRHJJIKQYTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2/c21-15-5-3-14(4-6-15)12-24-19(26)13-23-18-8-7-16(22)11-17(18)20(27)25-9-1-2-10-25/h3-8,11,23H,1-2,9-10,12-13H2,(H,24,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide?
N-[(4-chlorophenyl)methyl]-2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide has a molecular weight of 406.31 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 55897278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).