(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride

C14H20BrClN2O — CID 119301081

IUPAC(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCC1(c2ccc(Br)cc2)CCC1.Cl
InChIInChI=1S/C14H19BrN2O.ClH/c1-10(16)13(18)17-9-14(7-2-8-14)11-3-5-12(15)6-4-11;/h3-6,10H,2,7-9,16H2,1H3,(H,17,18);1H/t10-;/m1./s1
InChIKeyRZYQUKUJYZEHDZ-HNCPQSOCSA-N
MW347.68 g/mol
LogP2.76
Rot. Bonds4

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

(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride (PubChem CID 119301081) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is (2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride
PubChem CID119301081
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC Name(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCC1(c2ccc(Br)cc2)CCC1.Cl
InChIInChI=1S/C14H19BrN2O.ClH/c1-10(16)13(18)17-9-14(7-2-8-14)11-3-5-12(15)6-4-11;/h3-6,10H,2,7-9,16H2,1H3,(H,17,18);1H/t10-;/m1./s1
InChIKeyRZYQUKUJYZEHDZ-HNCPQSOCSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 119301083
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119744791
4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561083
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide
CID 119744792
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
(2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide
CID 119321524
(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598
(2S)-2-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide
CID 119331509
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662
(2R)-2-amino-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119303910
N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119797524
1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea
CID 110902757

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride (CID 119301081) is (2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride is C[C@@H](N)C(=O)NCC1(c2ccc(Br)cc2)CCC1.Cl.
What is the InChIKey of (2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride?
The InChIKey is RZYQUKUJYZEHDZ-HNCPQSOCSA-N. The full InChI is InChI=1S/C14H19BrN2O.ClH/c1-10(16)13(18)17-9-14(7-2-8-14)11-3-5-12(15)6-4-11;/h3-6,10H,2,7-9,16H2,1H3,(H,17,18);1H/t10-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride?
(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride has a molecular weight of 347.68 g/mol, XLogP of 2.76, 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)cyclobutyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119301081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).