N-(3-bromophenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide

C21H26BrN3O2 — CID 43036296

IUPACN-(3-bromophenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide
SMILESCC(NCc1ccccc1CN1CCOCC1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C21H26BrN3O2/c1-16(21(26)24-20-8-4-7-19(22)13-20)23-14-17-5-2-3-6-18(17)15-25-9-11-27-12-10-25/h2-8,13,16,23H,9-12,14-15H2,1H3,(H,24,26)
InChIKeyFNQGWFSPJHWYNI-UHFFFAOYSA-N
MW432.36 g/mol
LogP3.40
Rot. Bonds7

About N-(3-bromophenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide

N-(3-bromophenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide (PubChem CID 43036296) has the molecular formula C21H26BrN3O2 and a molecular weight of 432.36 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide
PubChem CID43036296
Molecular FormulaC21H26BrN3O2
Molecular Weight432.36 g/mol
Exact Mass431.12
IUPAC NameN-(3-bromophenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide
SMILESCC(NCc1ccccc1CN1CCOCC1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C21H26BrN3O2/c1-16(21(26)24-20-8-4-7-19(22)13-20)23-14-17-5-2-3-6-18(17)15-25-9-11-27-12-10-25/h2-8,13,16,23H,9-12,14-15H2,1H3,(H,24,26)
InChIKeyFNQGWFSPJHWYNI-UHFFFAOYSA-N
XLogP3.40
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide
CID 31483547
N-(2,6-dimethylphenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide
CID 43036311
3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481167
2-(4-bromopyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
CID 19537582
(2S)-1-(2,3-dihydroindol-1-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propan-1-one
CID 9396558
1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 94516313
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 43346970
N-(3-bromophenyl)-2-(morpholin-4-ylamino)acetamide
CID 83021926
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide
CID 43036312
2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 119834774
(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide
CID 2464663
3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4051447

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide?
The IUPAC name of N-(3-bromophenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide (CID 43036296) is N-(3-bromophenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide?
The canonical SMILES for N-(3-bromophenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide is CC(NCc1ccccc1CN1CCOCC1)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide?
The InChIKey is FNQGWFSPJHWYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O2/c1-16(21(26)24-20-8-4-7-19(22)13-20)23-14-17-5-2-3-6-18(17)15-25-9-11-27-12-10-25/h2-8,13,16,23H,9-12,14-15H2,1H3,(H,24,26).
What are the key properties of N-(3-bromophenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide?
N-(3-bromophenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide has a molecular weight of 432.36 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide is sourced from PubChem (CID 43036296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).