N-[5-chloro-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide

C22H18ClN3O4 — CID 55934138

IUPACN-[5-chloro-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1NC(=O)c1ccco1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C22H18ClN3O4/c23-15-8-9-17(18(13-15)25-22(29)19-6-3-11-30-19)24-21(28)14-4-1-5-16(12-14)26-10-2-7-20(26)27/h1,3-6,8-9,11-13H,2,7,10H2,(H,24,28)(H,25,29)
InChIKeyTUPNFVYOSRJYIR-UHFFFAOYSA-N
MW423.86 g/mol
LogP4.56
Rot. Bonds5

About N-[5-chloro-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide

N-[5-chloro-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide (PubChem CID 55934138) has the molecular formula C22H18ClN3O4 and a molecular weight of 423.86 g/mol. Its IUPAC name is N-[5-chloro-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide
PubChem CID55934138
Molecular FormulaC22H18ClN3O4
Molecular Weight423.86 g/mol
Exact Mass423.10
IUPAC NameN-[5-chloro-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1NC(=O)c1ccco1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C22H18ClN3O4/c23-15-8-9-17(18(13-15)25-22(29)19-6-3-11-30-19)24-21(28)14-4-1-5-16(12-14)26-10-2-7-20(26)27/h1,3-6,8-9,11-13H,2,7,10H2,(H,24,28)(H,25,29)
InChIKeyTUPNFVYOSRJYIR-UHFFFAOYSA-N
XLogP4.56
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.86
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 42014564
N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 55645358
N-[5-chloro-2-[[3-(dimethylamino)benzoyl]amino]phenyl]furan-2-carboxamide
CID 55811826
N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9371428
N-(2,6-difluorophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174706
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide
CID 9086885
N-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27826911
N-(furan-2-ylmethylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 714311
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide
CID 9367033
3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
CID 51251631
N-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide
CID 120604401

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[5-chloro-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide (CID 55934138) is N-[5-chloro-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1NC(=O)c1ccco1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[5-chloro-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is TUPNFVYOSRJYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O4/c23-15-8-9-17(18(13-15)25-22(29)19-6-3-11-30-19)24-21(28)14-4-1-5-16(12-14)26-10-2-7-20(26)27/h1,3-6,8-9,11-13H,2,7,10H2,(H,24,28)(H,25,29).
What are the key properties of N-[5-chloro-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide?
N-[5-chloro-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 423.86 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55934138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).