5-[(4-chlorophenyl)carbamoylamino]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide

C20H22ClFN4O2 — CID 46888913

IUPAC5-[(4-chlorophenyl)carbamoylamino]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(F)c(C(=O)NCCN2CCCC2)c1
InChIInChI=1S/C20H22ClFN4O2/c21-14-3-5-15(6-4-14)24-20(28)25-16-7-8-18(22)17(13-16)19(27)23-9-12-26-10-1-2-11-26/h3-8,13H,1-2,9-12H2,(H,23,27)(H2,24,25,28)
InChIKeySVBDTKQOSQKNGU-UHFFFAOYSA-N
MW404.87 g/mol
LogP3.95
Rot. Bonds6

About 5-[(4-chlorophenyl)carbamoylamino]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide

5-[(4-chlorophenyl)carbamoylamino]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 46888913) has the molecular formula C20H22ClFN4O2 and a molecular weight of 404.87 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)carbamoylamino]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)carbamoylamino]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID46888913
Molecular FormulaC20H22ClFN4O2
Molecular Weight404.87 g/mol
Exact Mass404.14
IUPAC Name5-[(4-chlorophenyl)carbamoylamino]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(F)c(C(=O)NCCN2CCCC2)c1
InChIInChI=1S/C20H22ClFN4O2/c21-14-3-5-15(6-4-14)24-20(28)25-16-7-8-18(22)17(13-16)19(27)23-9-12-26-10-1-2-11-26/h3-8,13H,1-2,9-12H2,(H,23,27)(H2,24,25,28)
InChIKeySVBDTKQOSQKNGU-UHFFFAOYSA-N
XLogP3.95
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.87
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)carbamoylamino]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 5-[(4-chlorophenyl)carbamoylamino]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 46888913) is 5-[(4-chlorophenyl)carbamoylamino]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 5-[(4-chlorophenyl)carbamoylamino]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 5-[(4-chlorophenyl)carbamoylamino]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide is O=C(Nc1ccc(Cl)cc1)Nc1ccc(F)c(C(=O)NCCN2CCCC2)c1.
What is the InChIKey of 5-[(4-chlorophenyl)carbamoylamino]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is SVBDTKQOSQKNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN4O2/c21-14-3-5-15(6-4-14)24-20(28)25-16-7-8-18(22)17(13-16)19(27)23-9-12-26-10-1-2-11-26/h3-8,13H,1-2,9-12H2,(H,23,27)(H2,24,25,28).
What are the key properties of 5-[(4-chlorophenyl)carbamoylamino]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide?
5-[(4-chlorophenyl)carbamoylamino]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 404.87 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)carbamoylamino]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 46888913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).