2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide

C21H24ClN3O2 — CID 110400474

IUPAC2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1cc(N2CCCC2)ccc1N1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C21H24ClN3O2/c22-18-6-2-1-5-17(18)21(26)23-19-15-16(24-9-3-4-10-24)7-8-20(19)25-11-13-27-14-12-25/h1-2,5-8,15H,3-4,9-14H2,(H,23,26)
InChIKeyQEXLJCOPRVDZRC-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.03
Rot. Bonds4

About 2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide

2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 110400474) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
PubChem CID110400474
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1cc(N2CCCC2)ccc1N1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C21H24ClN3O2/c22-18-6-2-1-5-17(18)21(26)23-19-15-16(24-9-3-4-10-24)7-8-20(19)25-11-13-27-14-12-25/h1-2,5-8,15H,3-4,9-14H2,(H,23,26)
InChIKeyQEXLJCOPRVDZRC-UHFFFAOYSA-N
XLogP4.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400396
2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide
CID 2954012
4-fluoro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400459
N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 110400478
N-(2-chloro-5-morpholin-4-ylphenyl)-2-methylbenzamide
CID 110362732
3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400455
3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400397
2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide
CID 110400406
2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 4020087
4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400402
benzyl N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)carbamate
CID 110400424
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide
CID 48987924

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide (CID 110400474) is 2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide is O=C(Nc1cc(N2CCCC2)ccc1N1CCOCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is QEXLJCOPRVDZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c22-18-6-2-1-5-17(18)21(26)23-19-15-16(24-9-3-4-10-24)7-8-20(19)25-11-13-27-14-12-25/h1-2,5-8,15H,3-4,9-14H2,(H,23,26).
What are the key properties of 2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide?
2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 385.90 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 110400474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).