N-(3-bromophenyl)-2-(morpholin-4-ylamino)acetamide

C12H16BrN3O2 — CID 83021926

IUPACN-(3-bromophenyl)-2-(morpholin-4-ylamino)acetamide
SMILESO=C(CNN1CCOCC1)Nc1cccc(Br)c1
InChIInChI=1S/C12H16BrN3O2/c13-10-2-1-3-11(8-10)15-12(17)9-14-16-4-6-18-7-5-16/h1-3,8,14H,4-7,9H2,(H,15,17)
InChIKeyJNEYWBXEZQUSKS-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.22
Rot. Bonds4

About N-(3-bromophenyl)-2-(morpholin-4-ylamino)acetamide

N-(3-bromophenyl)-2-(morpholin-4-ylamino)acetamide (PubChem CID 83021926) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(morpholin-4-ylamino)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(morpholin-4-ylamino)acetamide
PubChem CID83021926
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC NameN-(3-bromophenyl)-2-(morpholin-4-ylamino)acetamide
SMILESO=C(CNN1CCOCC1)Nc1cccc(Br)c1
InChIInChI=1S/C12H16BrN3O2/c13-10-2-1-3-11(8-10)15-12(17)9-14-16-4-6-18-7-5-16/h1-3,8,14H,4-7,9H2,(H,15,17)
InChIKeyJNEYWBXEZQUSKS-UHFFFAOYSA-N
XLogP1.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 83021933
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2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide
CID 113160733
N-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide
CID 43126391
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
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N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745377
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
3-[4-[3-(3-bromoanilino)-3-oxopropyl]piperazin-1-yl]-N-(3-bromophenyl)propanamide;dihydrochloride
CID 126478468
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679
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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(morpholin-4-ylamino)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(morpholin-4-ylamino)acetamide (CID 83021926) is N-(3-bromophenyl)-2-(morpholin-4-ylamino)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(morpholin-4-ylamino)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(morpholin-4-ylamino)acetamide is O=C(CNN1CCOCC1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(morpholin-4-ylamino)acetamide?
The InChIKey is JNEYWBXEZQUSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c13-10-2-1-3-11(8-10)15-12(17)9-14-16-4-6-18-7-5-16/h1-3,8,14H,4-7,9H2,(H,15,17).
What are the key properties of N-(3-bromophenyl)-2-(morpholin-4-ylamino)acetamide?
N-(3-bromophenyl)-2-(morpholin-4-ylamino)acetamide has a molecular weight of 314.18 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(morpholin-4-ylamino)acetamide is sourced from PubChem (CID 83021926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).