2-chloro-4-fluoro-N-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]benzamide

C22H19ClFN3O4 — CID 55759596

IUPAC2-chloro-4-fluoro-N-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1Cl)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C22H19ClFN3O4/c23-18-12-14(24)7-8-16(18)21(29)25-10-9-20(28)27-19-6-2-1-5-17(19)22(30)26-13-15-4-3-11-31-15/h1-8,11-12H,9-10,13H2,(H,25,29)(H,26,30)(H,27,28)
InChIKeyQLULFFFUPHORNM-UHFFFAOYSA-N
MW443.86 g/mol
LogP3.76
Rot. Bonds8

About 2-chloro-4-fluoro-N-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]benzamide

2-chloro-4-fluoro-N-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]benzamide (PubChem CID 55759596) has the molecular formula C22H19ClFN3O4 and a molecular weight of 443.86 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]benzamide
PubChem CID55759596
Molecular FormulaC22H19ClFN3O4
Molecular Weight443.86 g/mol
Exact Mass443.10
IUPAC Name2-chloro-4-fluoro-N-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1Cl)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C22H19ClFN3O4/c23-18-12-14(24)7-8-16(18)21(29)25-10-9-20(28)27-19-6-2-1-5-17(19)22(30)26-13-15-4-3-11-31-15/h1-8,11-12H,9-10,13H2,(H,25,29)(H,26,30)(H,27,28)
InChIKeyQLULFFFUPHORNM-UHFFFAOYSA-N
XLogP3.76
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.86
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 4938422
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide
CID 51192536
2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17404436
2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55753021
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 9229573
2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 55772978
N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
CID 36859009
[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 9198960
2-chloro-4-fluoro-N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811663
2-chloro-4-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811664

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]benzamide (CID 55759596) is 2-chloro-4-fluoro-N-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(F)cc1Cl)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-chloro-4-fluoro-N-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]benzamide?
The InChIKey is QLULFFFUPHORNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O4/c23-18-12-14(24)7-8-16(18)21(29)25-10-9-20(28)27-19-6-2-1-5-17(19)22(30)26-13-15-4-3-11-31-15/h1-8,11-12H,9-10,13H2,(H,25,29)(H,26,30)(H,27,28).
What are the key properties of 2-chloro-4-fluoro-N-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]benzamide?
2-chloro-4-fluoro-N-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]benzamide has a molecular weight of 443.86 g/mol, XLogP of 3.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 55759596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).