N-[2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-2,4-difluorobenzamide

C19H16ClF2N3O3 — CID 46540627

IUPACN-[2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-2,4-difluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)Nc1ccc(N2CCCC2=O)c(Cl)c1
InChIInChI=1S/C19H16ClF2N3O3/c20-14-9-12(4-6-16(14)25-7-1-2-18(25)27)24-17(26)10-23-19(28)13-5-3-11(21)8-15(13)22/h3-6,8-9H,1-2,7,10H2,(H,23,28)(H,24,26)
InChIKeySHFYJBVNYSBCKZ-UHFFFAOYSA-N
MW407.80 g/mol
LogP3.11
Rot. Bonds5

About N-[2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-2,4-difluorobenzamide

N-[2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-2,4-difluorobenzamide (PubChem CID 46540627) has the molecular formula C19H16ClF2N3O3 and a molecular weight of 407.80 g/mol. Its IUPAC name is N-[2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-2,4-difluorobenzamide
PubChem CID46540627
Molecular FormulaC19H16ClF2N3O3
Molecular Weight407.80 g/mol
Exact Mass407.08
IUPAC NameN-[2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-2,4-difluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)Nc1ccc(N2CCCC2=O)c(Cl)c1
InChIInChI=1S/C19H16ClF2N3O3/c20-14-9-12(4-6-16(14)25-7-1-2-18(25)27)24-17(26)10-23-19(28)13-5-3-11(21)8-15(13)22/h3-6,8-9H,1-2,7,10H2,(H,23,28)(H,24,26)
InChIKeySHFYJBVNYSBCKZ-UHFFFAOYSA-N
XLogP3.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.80
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 86940012
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CID 8746567
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-5-hydroxypentanamide
CID 79194755
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-chloro-2-(2-oxopyrrolidin-1-yl)benzoate
CID 32553124
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 46699704
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2,5-dichlorophenoxy)acetamide
CID 24600272
2,4-difluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 1259715
N-[3-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55726166
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 17443162
4-chloro-2-fluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17499343
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9210686
5-bromo-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-hydroxybenzamide
CID 25495530

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-2,4-difluorobenzamide (CID 46540627) is N-[2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-2,4-difluorobenzamide is O=C(CNC(=O)c1ccc(F)cc1F)Nc1ccc(N2CCCC2=O)c(Cl)c1.
What is the InChIKey of N-[2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-2,4-difluorobenzamide?
The InChIKey is SHFYJBVNYSBCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O3/c20-14-9-12(4-6-16(14)25-7-1-2-18(25)27)24-17(26)10-23-19(28)13-5-3-11(21)8-15(13)22/h3-6,8-9H,1-2,7,10H2,(H,23,28)(H,24,26).
What are the key properties of N-[2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-2,4-difluorobenzamide?
N-[2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-2,4-difluorobenzamide has a molecular weight of 407.80 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 46540627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).