2-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide

C19H19ClFN3O2 — CID 54818358

IUPAC2-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESO=C(CNc1ccc(F)c(Cl)c1)Nc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C19H19ClFN3O2/c20-16-11-14(6-7-17(16)21)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)
InChIKeyHAAGNOFQQVYKDL-UHFFFAOYSA-N
MW375.83 g/mol
LogP3.77
Rot. Bonds5

About 2-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 54818358) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID54818358
Molecular FormulaC19H19ClFN3O2
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC Name2-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESO=C(CNc1ccc(F)c(Cl)c1)Nc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C19H19ClFN3O2/c20-16-11-14(6-7-17(16)21)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)
InChIKeyHAAGNOFQQVYKDL-UHFFFAOYSA-N
XLogP3.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(azepane-1-carbonyl)anilino]-N-(4-chlorophenyl)acetamide
CID 54841635
2-(2,5-dichloroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54819586
2-(3-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9084520
N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839676
2-(2-chloroanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54810249
N-(3-chloro-2-methylphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085061
3-(azepane-1-carbonyl)-N-(3-chloro-4-fluorophenyl)benzamide
CID 109056705
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 54818358) is 2-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide is O=C(CNc1ccc(F)c(Cl)c1)Nc1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is HAAGNOFQQVYKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O2/c20-16-11-14(6-7-17(16)21)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-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 375.83 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54818358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).