3-[[(1R)-1-(4-bromophenyl)ethyl]amino]propanamide

C11H15BrN2O — CID 81359953

IUPAC3-[[(1R)-1-(4-bromophenyl)ethyl]amino]propanamide
SMILESC[C@@H](NCCC(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O/c1-8(14-7-6-11(13)15)9-2-4-10(12)5-3-9/h2-5,8,14H,6-7H2,1H3,(H2,13,15)/t8-/m1/s1
InChIKeyKZOQLWHHGJKJCB-MRVPVSSYSA-N
MW271.16 g/mol
LogP1.98
Rot. Bonds5

About 3-[[(1R)-1-(4-bromophenyl)ethyl]amino]propanamide

3-[[(1R)-1-(4-bromophenyl)ethyl]amino]propanamide (PubChem CID 81359953) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-[[(1R)-1-(4-bromophenyl)ethyl]amino]propanamide.

Molecular Properties

Compound Name3-[[(1R)-1-(4-bromophenyl)ethyl]amino]propanamide
PubChem CID81359953
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-[[(1R)-1-(4-bromophenyl)ethyl]amino]propanamide
SMILESC[C@@H](NCCC(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O/c1-8(14-7-6-11(13)15)9-2-4-10(12)5-3-9/h2-5,8,14H,6-7H2,1H3,(H2,13,15)/t8-/m1/s1
InChIKeyKZOQLWHHGJKJCB-MRVPVSSYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81358990
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethanesulfonamide
CID 103912645
methyl 3-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-methylpropanoate
CID 81359899
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylpropanoic acid
CID 81359638
5-[[(1S)-1-(4-bromophenyl)ethyl]amino]pentan-1-ol
CID 81360207
N-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30111376
(1S)-1-(4-bromophenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 104863352
3-(4-bromoanilino)propanamide;ethane
CID 169234714
ethyl 3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylpropanoate
CID 81359959
4-[1-(3,4-dichlorophenyl)ethylamino]butanamide
CID 60865196
(2S)-1-[[(1S)-1-(4-bromophenyl)ethyl]amino]propan-2-ol
CID 93082226
5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide
CID 103529781

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(4-bromophenyl)ethyl]amino]propanamide?
The IUPAC name of 3-[[(1R)-1-(4-bromophenyl)ethyl]amino]propanamide (CID 81359953) is 3-[[(1R)-1-(4-bromophenyl)ethyl]amino]propanamide.
What is the SMILES notation for 3-[[(1R)-1-(4-bromophenyl)ethyl]amino]propanamide?
The canonical SMILES for 3-[[(1R)-1-(4-bromophenyl)ethyl]amino]propanamide is C[C@@H](NCCC(N)=O)c1ccc(Br)cc1.
What is the InChIKey of 3-[[(1R)-1-(4-bromophenyl)ethyl]amino]propanamide?
The InChIKey is KZOQLWHHGJKJCB-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8(14-7-6-11(13)15)9-2-4-10(12)5-3-9/h2-5,8,14H,6-7H2,1H3,(H2,13,15)/t8-/m1/s1.
What are the key properties of 3-[[(1R)-1-(4-bromophenyl)ethyl]amino]propanamide?
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]propanamide has a molecular weight of 271.16 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(4-bromophenyl)ethyl]amino]propanamide is sourced from PubChem (CID 81359953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).