2-amino-3-[(4-bromophenyl)methoxy]propanamide

C10H13BrN2O2 — CID 82827712

IUPAC2-amino-3-[(4-bromophenyl)methoxy]propanamide
SMILESNC(=O)C(N)COCc1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2O2/c11-8-3-1-7(2-4-8)5-15-6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H2,13,14)
InChIKeyDTRYCTOTCOAGOY-UHFFFAOYSA-N
MW273.13 g/mol
LogP0.78
Rot. Bonds5

About 2-amino-3-[(4-bromophenyl)methoxy]propanamide

2-amino-3-[(4-bromophenyl)methoxy]propanamide (PubChem CID 82827712) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-amino-3-[(4-bromophenyl)methoxy]propanamide.

Molecular Properties

Compound Name2-amino-3-[(4-bromophenyl)methoxy]propanamide
PubChem CID82827712
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-amino-3-[(4-bromophenyl)methoxy]propanamide
SMILESNC(=O)C(N)COCc1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2O2/c11-8-3-1-7(2-4-8)5-15-6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H2,13,14)
InChIKeyDTRYCTOTCOAGOY-UHFFFAOYSA-N
XLogP0.78
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methoxy]acetamide
CID 82831352
(4-bromophenyl)methyl 2-amino-3-sulfanylpropanoate
CID 82824972
(4-bromophenyl)methyl 2-aminopropanoate
CID 79016894
(2S)-2-amino-3-[(4-chlorophenyl)methoxy]propanoic acid
CID 68714535
methyl 5-[[(2S)-2,3-diamino-3-oxopropoxy]methyl]furan-2-carboxylate
CID 22951562
2-amino-3-(pyridin-2-ylmethoxy)propanamide
CID 83213494
(4-bromophenyl)methyl hydrogen carbonate
CID 21123816
2-[4-[(4-bromophenyl)methoxymethyl]phenyl]acetic acid
CID 105345019
3-amino-4-phenylmethoxybutan-2-one
CID 3355727
(4-bromophenyl)methyl 2-aminopent-4-ynoate
CID 82823834
3-[(4-bromophenyl)methoxy]-2-methylpropane-1-sulfonamide
CID 82827251
[(2S)-2-[(1R)-1-acetyloxy-2-[(4-bromophenyl)methoxy]ethyl]but-3-enyl] acetate
CID 10500287

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(4-bromophenyl)methoxy]propanamide?
The IUPAC name of 2-amino-3-[(4-bromophenyl)methoxy]propanamide (CID 82827712) is 2-amino-3-[(4-bromophenyl)methoxy]propanamide.
What is the SMILES notation for 2-amino-3-[(4-bromophenyl)methoxy]propanamide?
The canonical SMILES for 2-amino-3-[(4-bromophenyl)methoxy]propanamide is NC(=O)C(N)COCc1ccc(Br)cc1.
What is the InChIKey of 2-amino-3-[(4-bromophenyl)methoxy]propanamide?
The InChIKey is DTRYCTOTCOAGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c11-8-3-1-7(2-4-8)5-15-6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H2,13,14).
What are the key properties of 2-amino-3-[(4-bromophenyl)methoxy]propanamide?
2-amino-3-[(4-bromophenyl)methoxy]propanamide has a molecular weight of 273.13 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(4-bromophenyl)methoxy]propanamide is sourced from PubChem (CID 82827712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).