(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide

C14H21BrN2O — CID 113264007

IUPAC(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide
SMILESCCC[C@@H](N)C(=O)NC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-4-5-12(16)13(18)17-14(2,3)10-6-8-11(15)9-7-10/h6-9,12H,4-5,16H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyYGTGWPYTDAGASR-GFCCVEGCSA-N
MW313.24 g/mol
LogP2.93
Rot. Bonds5

About (2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide

(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide (PubChem CID 113264007) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide
PubChem CID113264007
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide
SMILESCCC[C@@H](N)C(=O)NC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-4-5-12(16)13(18)17-14(2,3)10-6-8-11(15)9-7-10/h6-9,12H,4-5,16H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyYGTGWPYTDAGASR-GFCCVEGCSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-5-[2-(4-bromophenyl)propan-2-ylamino]-5-oxopentanoic acid
CID 64896765
3-amino-4-[2-(4-bromophenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64896073
2-amino-N-[2-(4-ethylphenyl)propan-2-yl]pentanamide
CID 119337742
2-amino-N-[1-(4-bromophenyl)-2-methylpropan-2-yl]pentanamide;hydrochloride
CID 119317253
(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 103928581
2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
CID 43697992
N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide
CID 103515044
(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
CID 119330329
5-amino-N-[2-(4-bromophenyl)propan-2-yl]-2-methylpentanamide
CID 104683780
N-[2-(2-aminopentanoylamino)ethyl]-4-bromobenzamide
CID 119299531
3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide
CID 54923979

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide?
The IUPAC name of (2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide (CID 113264007) is (2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide is CCC[C@@H](N)C(=O)NC(C)(C)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide?
The InChIKey is YGTGWPYTDAGASR-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-4-5-12(16)13(18)17-14(2,3)10-6-8-11(15)9-7-10/h6-9,12H,4-5,16H2,1-3H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide?
(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide has a molecular weight of 313.24 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide is sourced from PubChem (CID 113264007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).