4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide

C12H16BrN3O2 — CID 83107043

IUPAC4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1cc(Br)ccc1N
InChIInChI=1S/C12H16BrN3O2/c1-15-12(17)11-7-18-5-4-16(11)10-6-8(13)2-3-9(10)14/h2-3,6,11H,4-5,7,14H2,1H3,(H,15,17)
InChIKeyFNUZKEZFLQKRLU-UHFFFAOYSA-N
MW314.18 g/mol
LogP0.98
Rot. Bonds2

About 4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide

4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide (PubChem CID 83107043) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide
PubChem CID83107043
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1cc(Br)ccc1N
InChIInChI=1S/C12H16BrN3O2/c1-15-12(17)11-7-18-5-4-16(11)10-6-8(13)2-3-9(10)14/h2-3,6,11H,4-5,7,14H2,1H3,(H,15,17)
InChIKeyFNUZKEZFLQKRLU-UHFFFAOYSA-N
XLogP0.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83103492
4-(2-amino-4-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83098009
4-[4-(aminomethyl)-2-bromophenyl]-N-methylmorpholine-3-carboxamide
CID 83106146
2-amino-4-fluoro-5-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83105182
4-(2-amino-4-bromophenyl)morpholine-3-carboxamide
CID 83094303
4-bromo-2-(3-ethylmorpholin-4-yl)aniline
CID 65343373
4-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107053
2-amino-3-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83103635
4-(5-aminoquinolin-8-yl)-N-methylmorpholine-3-carboxamide
CID 83097175
4-[5-bromo-2-(1-hydroxyethyl)phenyl]-N-ethylmorpholine-3-carboxamide
CID 83101857
4-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-N-methylmorpholine-3-carboxamide
CID 83097189
4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107171

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide (CID 83107043) is 4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1c1cc(Br)ccc1N.
What is the InChIKey of 4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is FNUZKEZFLQKRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-15-12(17)11-7-18-5-4-16(11)10-6-8(13)2-3-9(10)14/h2-3,6,11H,4-5,7,14H2,1H3,(H,15,17).
What are the key properties of 4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide?
4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83107043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).