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

C17H19BrN2O — CID 115341637

IUPAC3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
SMILESC[C@@H](NC(=O)CCc1cccc(N)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O/c1-12(14-6-8-15(18)9-7-14)20-17(21)10-5-13-3-2-4-16(19)11-13/h2-4,6-9,11-12H,5,10,19H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyAMKDZSJKLZJMME-GFCCVEGCSA-N
MW347.26 g/mol
LogP3.84
Rot. Bonds5

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

3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide (PubChem CID 115341637) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
PubChem CID115341637
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
SMILESC[C@@H](NC(=O)CCc1cccc(N)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O/c1-12(14-6-8-15(18)9-7-14)20-17(21)10-5-13-3-2-4-16(19)11-13/h2-4,6-9,11-12H,5,10,19H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyAMKDZSJKLZJMME-GFCCVEGCSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 115341627
N-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide
CID 60700309
3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 107210300
(2R)-2-[3-(3-aminophenyl)propanoylamino]propanoic acid
CID 113290562
3-(3-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309032
3-(3-aminophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106281036
3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide
CID 54955617
3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855882
3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide
CID 82721321
3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 51276671
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide
CID 81359144
2-[3-(3-aminophenyl)propanoylamino]pentanoic acid
CID 115341301

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide (CID 115341637) is 3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide is C[C@@H](NC(=O)CCc1cccc(N)c1)c1ccc(Br)cc1.
What is the InChIKey of 3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide?
The InChIKey is AMKDZSJKLZJMME-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-12(14-6-8-15(18)9-7-14)20-17(21)10-5-13-3-2-4-16(19)11-13/h2-4,6-9,11-12H,5,10,19H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide?
3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide has a molecular weight of 347.26 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide is sourced from PubChem (CID 115341637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).