(2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride

C12H18BrClN2O — CID 119295652

IUPAC(2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride
SMILESCC(Cc1ccc(Br)cc1)NC(=O)[C@@H](C)N.Cl
InChIInChI=1S/C12H17BrN2O.ClH/c1-8(15-12(16)9(2)14)7-10-3-5-11(13)6-4-10;/h3-6,8-9H,7,14H2,1-2H3,(H,15,16);1H/t8?,9-;/m1./s1
InChIKeyWEJLCVDPFYMPIN-ICLMXVQUSA-N
MW321.65 g/mol
LogP2.27
Rot. Bonds4

About (2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride

(2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride (PubChem CID 119295652) has the molecular formula C12H18BrClN2O and a molecular weight of 321.65 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride
PubChem CID119295652
Molecular FormulaC12H18BrClN2O
Molecular Weight321.65 g/mol
Exact Mass320.03
IUPAC Name(2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride
SMILESCC(Cc1ccc(Br)cc1)NC(=O)[C@@H](C)N.Cl
InChIInChI=1S/C12H17BrN2O.ClH/c1-8(15-12(16)9(2)14)7-10-3-5-11(13)6-4-10;/h3-6,8-9H,7,14H2,1-2H3,(H,15,16);1H/t8?,9-;/m1./s1
InChIKeyWEJLCVDPFYMPIN-ICLMXVQUSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.65
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]butanamide
CID 79024112
(2R)-2-amino-N-[1-(4-propan-2-ylphenyl)propan-2-yl]propanamide;hydrochloride
CID 120873867
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide
CID 78919872
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
N-[1-(4-bromophenyl)propan-2-yl]-2-propan-2-ylsulfonylpropanamide
CID 51123377
3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropanoic acid
CID 62230124
ethyl N-[1-[1-(4-bromophenyl)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55848909
2-amino-N-[2-[[(2R)-1-(4-bromophenyl)propan-2-yl]amino]-2-oxoethyl]acetamide
CID 93341408
1-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119295658
(2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide
CID 119336726
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide
CID 47210807
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
CID 60718990

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride (CID 119295652) is (2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride is CC(Cc1ccc(Br)cc1)NC(=O)[C@@H](C)N.Cl.
What is the InChIKey of (2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride?
The InChIKey is WEJLCVDPFYMPIN-ICLMXVQUSA-N. The full InChI is InChI=1S/C12H17BrN2O.ClH/c1-8(15-12(16)9(2)14)7-10-3-5-11(13)6-4-10;/h3-6,8-9H,7,14H2,1-2H3,(H,15,16);1H/t8?,9-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride?
(2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride has a molecular weight of 321.65 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 119295652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).