N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide

C21H22ClN3O3 — CID 48987924

IUPACN-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide
SMILESO=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1ccccc1N1CCOCC1
InChIInChI=1S/C21H22ClN3O3/c22-17-8-7-15(25-9-3-6-20(25)26)14-18(17)23-21(27)16-4-1-2-5-19(16)24-10-12-28-13-11-24/h1-2,4-5,7-8,14H,3,6,9-13H2,(H,23,27)
InChIKeyWLPYVRBUJXOQDV-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.56
Rot. Bonds4

About N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide

N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide (PubChem CID 48987924) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide
PubChem CID48987924
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC NameN-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide
SMILESO=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1ccccc1N1CCOCC1
InChIInChI=1S/C21H22ClN3O3/c22-17-8-7-15(25-9-3-6-20(25)26)14-18(17)23-21(27)16-4-1-2-5-19(16)24-10-12-28-13-11-24/h1-2,4-5,7-8,14H,3,6,9-13H2,(H,23,27)
InChIKeyWLPYVRBUJXOQDV-UHFFFAOYSA-N
XLogP3.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-5-morpholin-4-ylphenyl)-2-methylbenzamide
CID 110362732
2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400474
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 43013801
2,5-dichloro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709772
N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17437757
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 55676037
2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
CID 55675758
(E)-N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 46689489
N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-ylbenzamide
CID 48980598
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55675672
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide
CID 47352609

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide (CID 48987924) is N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide is O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1ccccc1N1CCOCC1.
What is the InChIKey of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide?
The InChIKey is WLPYVRBUJXOQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c22-17-8-7-15(25-9-3-6-20(25)26)14-18(17)23-21(27)16-4-1-2-5-19(16)24-10-12-28-13-11-24/h1-2,4-5,7-8,14H,3,6,9-13H2,(H,23,27).
What are the key properties of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide?
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide has a molecular weight of 399.88 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 48987924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).