4-bromo-N-[3-[2-(morpholine-4-carbonyl)anilino]-3-oxopropyl]benzamide

C21H22BrN3O4 — CID 35326995

IUPAC4-bromo-N-[3-[2-(morpholine-4-carbonyl)anilino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C21H22BrN3O4/c22-16-7-5-15(6-8-16)20(27)23-10-9-19(26)24-18-4-2-1-3-17(18)21(28)25-11-13-29-14-12-25/h1-8H,9-14H2,(H,23,27)(H,24,26)
InChIKeyXYCIDOCIXUMLBU-UHFFFAOYSA-N
MW460.33 g/mol
LogP2.68
Rot. Bonds6

About 4-bromo-N-[3-[2-(morpholine-4-carbonyl)anilino]-3-oxopropyl]benzamide

4-bromo-N-[3-[2-(morpholine-4-carbonyl)anilino]-3-oxopropyl]benzamide (PubChem CID 35326995) has the molecular formula C21H22BrN3O4 and a molecular weight of 460.33 g/mol. Its IUPAC name is 4-bromo-N-[3-[2-(morpholine-4-carbonyl)anilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[2-(morpholine-4-carbonyl)anilino]-3-oxopropyl]benzamide
PubChem CID35326995
Molecular FormulaC21H22BrN3O4
Molecular Weight460.33 g/mol
Exact Mass459.08
IUPAC Name4-bromo-N-[3-[2-(morpholine-4-carbonyl)anilino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C21H22BrN3O4/c22-16-7-5-15(6-8-16)20(27)23-10-9-19(26)24-18-4-2-1-3-17(18)21(28)25-11-13-29-14-12-25/h1-8H,9-14H2,(H,23,27)(H,24,26)
InChIKeyXYCIDOCIXUMLBU-UHFFFAOYSA-N
XLogP2.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide
CID 26905347
N,N'-bis[2-(morpholine-4-carbonyl)phenyl]decanediamide
CID 17080133
7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide
CID 119703947
4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 26697005
4-chloro-N-[4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butyl]benzamide
CID 26905508
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 35328696
2-(2-fluorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 35325829
3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 6461370
3-(furan-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 35329167
N-[2-(morpholine-4-carbonyl)phenyl]-4-phenoxybenzamide
CID 35325582
3-(2-aminophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 120608564
N-[2-(morpholine-4-carbonyl)phenyl]-3-naphthalen-1-ylpropanamide
CID 53278693

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[2-(morpholine-4-carbonyl)anilino]-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[2-(morpholine-4-carbonyl)anilino]-3-oxopropyl]benzamide (CID 35326995) is 4-bromo-N-[3-[2-(morpholine-4-carbonyl)anilino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[2-(morpholine-4-carbonyl)anilino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[2-(morpholine-4-carbonyl)anilino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccccc1C(=O)N1CCOCC1.
What is the InChIKey of 4-bromo-N-[3-[2-(morpholine-4-carbonyl)anilino]-3-oxopropyl]benzamide?
The InChIKey is XYCIDOCIXUMLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O4/c22-16-7-5-15(6-8-16)20(27)23-10-9-19(26)24-18-4-2-1-3-17(18)21(28)25-11-13-29-14-12-25/h1-8H,9-14H2,(H,23,27)(H,24,26).
What are the key properties of 4-bromo-N-[3-[2-(morpholine-4-carbonyl)anilino]-3-oxopropyl]benzamide?
4-bromo-N-[3-[2-(morpholine-4-carbonyl)anilino]-3-oxopropyl]benzamide has a molecular weight of 460.33 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[2-(morpholine-4-carbonyl)anilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 35326995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).