2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride

C11H16BrClN2O — CID 119285491

IUPAC2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride
SMILESCC(N)C(=O)NC(C)c1cccc(Br)c1.Cl
InChIInChI=1S/C11H15BrN2O.ClH/c1-7(13)11(15)14-8(2)9-4-3-5-10(12)6-9;/h3-8H,13H2,1-2H3,(H,14,15);1H
InChIKeyDKBTUTOBACNAJP-UHFFFAOYSA-N
MW307.62 g/mol
LogP2.40
Rot. Bonds3

About 2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride

2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride (PubChem CID 119285491) has the molecular formula C11H16BrClN2O and a molecular weight of 307.62 g/mol. Its IUPAC name is 2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride
PubChem CID119285491
Molecular FormulaC11H16BrClN2O
Molecular Weight307.62 g/mol
Exact Mass306.01
IUPAC Name2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride
SMILESCC(N)C(=O)NC(C)c1cccc(Br)c1.Cl
InChIInChI=1S/C11H15BrN2O.ClH/c1-7(13)11(15)14-8(2)9-4-3-5-10(12)6-9;/h3-8H,13H2,1-2H3,(H,14,15);1H
InChIKeyDKBTUTOBACNAJP-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 104898206
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
(2S)-2-amino-N-[1-(3-bromophenyl)ethyl]butanamide
CID 79025388
(2S)-2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylpentanamide
CID 81376335
(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81361090
(2S)-2-acetamido-N-[(1R)-1-(3-bromophenyl)ethyl]propanamide
CID 94823421
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 81372048
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
CID 60718990
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]propanamide
CID 81359524
(2R)-2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 81359677

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride (CID 119285491) is 2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride is CC(N)C(=O)NC(C)c1cccc(Br)c1.Cl.
What is the InChIKey of 2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride?
The InChIKey is DKBTUTOBACNAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O.ClH/c1-7(13)11(15)14-8(2)9-4-3-5-10(12)6-9;/h3-8H,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride?
2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride has a molecular weight of 307.62 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119285491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).