2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide

C14H19BrN2O — CID 81376410

IUPAC2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide
SMILESC[C@H](NC(=O)C(C)(N)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O/c1-9(10-4-3-5-12(15)8-10)17-13(18)14(2,16)11-6-7-11/h3-5,8-9,11H,6-7,16H2,1-2H3,(H,17,18)/t9-,14?/m0/s1
InChIKeyMEELYAWRMBXJEJ-CUVJYRNJSA-N
MW311.22 g/mol
LogP2.75
Rot. Bonds4

About 2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide

2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide (PubChem CID 81376410) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide
PubChem CID81376410
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide
SMILESC[C@H](NC(=O)C(C)(N)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O/c1-9(10-4-3-5-12(15)8-10)17-13(18)14(2,16)11-6-7-11/h3-5,8-9,11H,6-7,16H2,1-2H3,(H,17,18)/t9-,14?/m0/s1
InChIKeyMEELYAWRMBXJEJ-CUVJYRNJSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-cyclopropyl-N-[(1R)-1-phenylethyl]propanamide
CID 55252127
2-amino-N-[1-(4-tert-butylphenyl)ethyl]-2-cyclopropylpropanamide
CID 60866617
N-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide
CID 104936569
2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 81376845
3-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2,2-dimethylpropanamide
CID 115426897
2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61248453
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-cyclopropylpropanamide
CID 81354638
3-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbutanamide
CID 64686188
2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 60866125
4-amino-N-[(1S)-1-(3-bromophenyl)ethyl]cyclohexane-1-carboxamide
CID 81376555
2-amino-2-cyclopropyl-N-[1-(furan-2-yl)ethyl]propanamide
CID 60866793
2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide
CID 86814049

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide?
The IUPAC name of 2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide (CID 81376410) is 2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide is C[C@H](NC(=O)C(C)(N)C1CC1)c1cccc(Br)c1.
What is the InChIKey of 2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide?
The InChIKey is MEELYAWRMBXJEJ-CUVJYRNJSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-9(10-4-3-5-12(15)8-10)17-13(18)14(2,16)11-6-7-11/h3-5,8-9,11H,6-7,16H2,1-2H3,(H,17,18)/t9-,14?/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide?
2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide has a molecular weight of 311.22 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide is sourced from PubChem (CID 81376410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).