N-(3,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide

C19H19Cl2N3O2 — CID 54834153

IUPACN-(3,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESO=C(CNc1ccc(C(=O)N2CCCC2)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H19Cl2N3O2/c20-16-8-7-15(11-17(16)21)23-18(25)12-22-14-5-3-13(4-6-14)19(26)24-9-1-2-10-24/h3-8,11,22H,1-2,9-10,12H2,(H,23,25)
InChIKeyXPZJLBUAHHSONX-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.28
Rot. Bonds5

About N-(3,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide

N-(3,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide (PubChem CID 54834153) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
PubChem CID54834153
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC NameN-(3,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESO=C(CNc1ccc(C(=O)N2CCCC2)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H19Cl2N3O2/c20-16-8-7-15(11-17(16)21)23-18(25)12-22-14-5-3-13(4-6-14)19(26)24-9-1-2-10-24/h3-8,11,22H,1-2,9-10,12H2,(H,23,25)
InChIKeyXPZJLBUAHHSONX-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-(4-chloroanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54810281
N-[4-chloro-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54834192
N-(2,5-dichlorophenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841411
N-(3,4-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044373
N-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841740
2-anilino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119702402
2-[4-(azepane-1-carbonyl)anilino]-N-(2,3-dichlorophenyl)acetamide
CID 54834934
N-(4-fluorophenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841618
2-[4-(azepane-1-carbonyl)anilino]-N-(4-bromophenyl)acetamide
CID 54834872
N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54834226
2-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54818358
2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54809150

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide (CID 54834153) is N-(3,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide is O=C(CNc1ccc(C(=O)N2CCCC2)cc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The InChIKey is XPZJLBUAHHSONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c20-16-8-7-15(11-17(16)21)23-18(25)12-22-14-5-3-13(4-6-14)19(26)24-9-1-2-10-24/h3-8,11,22H,1-2,9-10,12H2,(H,23,25).
What are the key properties of N-(3,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
N-(3,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]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 N-(3,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54834153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).