3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide

C14H21BrN2O — CID 120653201

IUPAC3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
SMILESCCN[C@H](C)CNC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-3-16-11(2)10-17-14(18)8-7-12-5-4-6-13(15)9-12/h4-6,9,11,16H,3,7-8,10H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyGTDNECDKIPOBII-LLVKDONJSA-N
MW313.24 g/mol
LogP2.50
Rot. Bonds7

About 3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide

3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide (PubChem CID 120653201) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
PubChem CID120653201
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
SMILESCCN[C@H](C)CNC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-3-16-11(2)10-17-14(18)8-7-12-5-4-6-13(15)9-12/h4-6,9,11,16H,3,7-8,10H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyGTDNECDKIPOBII-LLVKDONJSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029524
3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120654083
N-(3-aminobutyl)-3-(3-bromophenyl)propanamide
CID 119497411
3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120652975
3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119502303
N-[(2R)-2-(ethylamino)propyl]-3-thiophen-3-ylpropanamide
CID 120653069
3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110889052
N-(2-aminoethyl)-3-(3-bromophenyl)propanamide
CID 94697075
3-[3-(3-bromophenyl)propanoylamino]propanoic acid
CID 43240494
2-[[3-(3-bromophenyl)propanoylamino]methyl]-2-ethylbutanoic acid
CID 115429457
2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide
CID 120652269
1-(3-bromophenyl)-4-methylpentan-3-one
CID 43175847

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide (CID 120653201) is 3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide is CCN[C@H](C)CNC(=O)CCc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
The InChIKey is GTDNECDKIPOBII-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-3-16-11(2)10-17-14(18)8-7-12-5-4-6-13(15)9-12/h4-6,9,11,16H,3,7-8,10H2,1-2H3,(H,17,18)/t11-/m1/s1.
What are the key properties of 3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide has a molecular weight of 313.24 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide is sourced from PubChem (CID 120653201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).