N-(2-benzoyl-4-bromophenyl)-3-morpholin-4-ylpropanamide

C20H21BrN2O3 — CID 1113037

IUPACN-(2-benzoyl-4-bromophenyl)-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H21BrN2O3/c21-16-6-7-18(17(14-16)20(25)15-4-2-1-3-5-15)22-19(24)8-9-23-10-12-26-13-11-23/h1-7,14H,8-13H2,(H,22,24)
InChIKeyTZHLHFUAOYHAHR-UHFFFAOYSA-N
MW417.30 g/mol
LogP3.34
Rot. Bonds6

About N-(2-benzoyl-4-bromophenyl)-3-morpholin-4-ylpropanamide

N-(2-benzoyl-4-bromophenyl)-3-morpholin-4-ylpropanamide (PubChem CID 1113037) has the molecular formula C20H21BrN2O3 and a molecular weight of 417.30 g/mol. Its IUPAC name is N-(2-benzoyl-4-bromophenyl)-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-bromophenyl)-3-morpholin-4-ylpropanamide
PubChem CID1113037
Molecular FormulaC20H21BrN2O3
Molecular Weight417.30 g/mol
Exact Mass416.07
IUPAC NameN-(2-benzoyl-4-bromophenyl)-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H21BrN2O3/c21-16-6-7-18(17(14-16)20(25)15-4-2-1-3-5-15)22-19(24)8-9-23-10-12-26-13-11-23/h1-7,14H,8-13H2,(H,22,24)
InChIKeyTZHLHFUAOYHAHR-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 24764443
4-Morpholineacetamide, N-(2-((phenylamino)carbonyl)phenyl)-
CID 217304
N-benzyl-2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetamide
CID 1418363
N-[2-(4-morpholinylcarbonyl)phenyl]-3-phenylpropanamide
CID 2206381
2-benzamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 2812678
2-[(4-fluorobenzoyl)amino]-N-(3-morpholinopropyl)benzamide
CID 2812996
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-methylbenzamide
CID 577309
6-bromo-3-(morpholinomethyl)-4-phenylquinolin-2(1H)-one
CID 1162877
Ethyl 4-{2-[(4-bromobenzoyl)amino]benzoyl}-1-piperazinecarboxylate
CID 2919712
N-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-N',N'-dimethyl-butanediamide
CID 24880586
N-[2-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]anilino]-2-oxo-ethyl]benzamide
CID 44448794
1-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3-[(4-dimethylaminophenyl)methyl]urea
CID 44448822

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-bromophenyl)-3-morpholin-4-ylpropanamide?
The IUPAC name of N-(2-benzoyl-4-bromophenyl)-3-morpholin-4-ylpropanamide (CID 1113037) is N-(2-benzoyl-4-bromophenyl)-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(2-benzoyl-4-bromophenyl)-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-(2-benzoyl-4-bromophenyl)-3-morpholin-4-ylpropanamide is O=C(CCN1CCOCC1)Nc1ccc(Br)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-bromophenyl)-3-morpholin-4-ylpropanamide?
The InChIKey is TZHLHFUAOYHAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O3/c21-16-6-7-18(17(14-16)20(25)15-4-2-1-3-5-15)22-19(24)8-9-23-10-12-26-13-11-23/h1-7,14H,8-13H2,(H,22,24).
What are the key properties of N-(2-benzoyl-4-bromophenyl)-3-morpholin-4-ylpropanamide?
N-(2-benzoyl-4-bromophenyl)-3-morpholin-4-ylpropanamide has a molecular weight of 417.30 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-bromophenyl)-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 1113037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).