2-(2,5-dichloroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide

C19H19Cl2N3O2 — CID 54819586

IUPAC2-(2,5-dichloroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESO=C(CNc1cc(Cl)ccc1Cl)Nc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C19H19Cl2N3O2/c20-14-6-7-16(21)17(11-14)22-12-18(25)23-15-5-3-4-13(10-15)19(26)24-8-1-2-9-24/h3-7,10-11,22H,1-2,8-9,12H2,(H,23,25)
InChIKeyLLORSGKYXJGJKW-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.28
Rot. Bonds5

About 2-(2,5-dichloroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(2,5-dichloroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 54819586) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-(2,5-dichloroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichloroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID54819586
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name2-(2,5-dichloroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESO=C(CNc1cc(Cl)ccc1Cl)Nc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C19H19Cl2N3O2/c20-14-6-7-16(21)17(11-14)22-12-18(25)23-15-5-3-4-13(10-15)19(26)24-8-1-2-9-24/h3-7,10-11,22H,1-2,8-9,12H2,(H,23,25)
InChIKeyLLORSGKYXJGJKW-UHFFFAOYSA-N
XLogP4.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54810249
2-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54818358
2-[3-(azepane-1-carbonyl)anilino]-N-(4-chlorophenyl)acetamide
CID 54841635
2-(2,4-dichloroanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54810917
N-(3-chloro-2-methylphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085061
N-(2,5-dichlorophenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841411
N-tert-butyl-3-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
CID 54819787
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54809150
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
N-[3-(azepane-1-carbonyl)phenyl]-2-(4-bromoanilino)acetamide
CID 54810997

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2,5-dichloroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 54819586) is 2-(2,5-dichloroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dichloroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2,5-dichloroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide is O=C(CNc1cc(Cl)ccc1Cl)Nc1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of 2-(2,5-dichloroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is LLORSGKYXJGJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c20-14-6-7-16(21)17(11-14)22-12-18(25)23-15-5-3-4-13(10-15)19(26)24-8-1-2-9-24/h3-7,10-11,22H,1-2,8-9,12H2,(H,23,25).
What are the key properties of 2-(2,5-dichloroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(2,5-dichloroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 392.29 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54819586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).