2-amino-N-[(3-bromo-4-methoxyphenyl)-phenylmethyl]pentanamide;hydrochloride

C19H24BrClN2O2 — CID 119318972

IUPAC2-amino-N-[(3-bromo-4-methoxyphenyl)-phenylmethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(c1ccccc1)c1ccc(OC)c(Br)c1.Cl
InChIInChI=1S/C19H23BrN2O2.ClH/c1-3-7-16(21)19(23)22-18(13-8-5-4-6-9-13)14-10-11-17(24-2)15(20)12-14;/h4-6,8-12,16,18H,3,7,21H2,1-2H3,(H,22,23);1H
InChIKeyLGNKRKWOEVPFPN-UHFFFAOYSA-N
MW427.77 g/mol
LogP4.21
Rot. Bonds7

About 2-amino-N-[(3-bromo-4-methoxyphenyl)-phenylmethyl]pentanamide;hydrochloride

2-amino-N-[(3-bromo-4-methoxyphenyl)-phenylmethyl]pentanamide;hydrochloride (PubChem CID 119318972) has the molecular formula C19H24BrClN2O2 and a molecular weight of 427.77 g/mol. Its IUPAC name is 2-amino-N-[(3-bromo-4-methoxyphenyl)-phenylmethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(3-bromo-4-methoxyphenyl)-phenylmethyl]pentanamide;hydrochloride
PubChem CID119318972
Molecular FormulaC19H24BrClN2O2
Molecular Weight427.77 g/mol
Exact Mass426.07
IUPAC Name2-amino-N-[(3-bromo-4-methoxyphenyl)-phenylmethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(c1ccccc1)c1ccc(OC)c(Br)c1.Cl
InChIInChI=1S/C19H23BrN2O2.ClH/c1-3-7-16(21)19(23)22-18(13-8-5-4-6-9-13)14-10-11-17(24-2)15(20)12-14;/h4-6,8-12,16,18H,3,7,21H2,1-2H3,(H,22,23);1H
InChIKeyLGNKRKWOEVPFPN-UHFFFAOYSA-N
XLogP4.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.77
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentanamide
CID 43713410
2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide
CID 119271036
(2S)-2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119273672
2-[[(R)-(3-bromo-4-methoxyphenyl)-phenylmethyl]amino]acetamide
CID 95149839
2-amino-N-[(2-chlorophenyl)-(2-methoxyphenyl)methyl]pentanamide
CID 119333887
3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride
CID 119694035
methyl 2-(2-aminopentanoylamino)-2-phenylacetate
CID 62111189
3-amino-3-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride
CID 162344286
2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide
CID 119875674
(2S)-2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentanamide
CID 61178461
(2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 107568606
2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119301241

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-bromo-4-methoxyphenyl)-phenylmethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(3-bromo-4-methoxyphenyl)-phenylmethyl]pentanamide;hydrochloride (CID 119318972) is 2-amino-N-[(3-bromo-4-methoxyphenyl)-phenylmethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(3-bromo-4-methoxyphenyl)-phenylmethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(3-bromo-4-methoxyphenyl)-phenylmethyl]pentanamide;hydrochloride is CCCC(N)C(=O)NC(c1ccccc1)c1ccc(OC)c(Br)c1.Cl.
What is the InChIKey of 2-amino-N-[(3-bromo-4-methoxyphenyl)-phenylmethyl]pentanamide;hydrochloride?
The InChIKey is LGNKRKWOEVPFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2.ClH/c1-3-7-16(21)19(23)22-18(13-8-5-4-6-9-13)14-10-11-17(24-2)15(20)12-14;/h4-6,8-12,16,18H,3,7,21H2,1-2H3,(H,22,23);1H.
What are the key properties of 2-amino-N-[(3-bromo-4-methoxyphenyl)-phenylmethyl]pentanamide;hydrochloride?
2-amino-N-[(3-bromo-4-methoxyphenyl)-phenylmethyl]pentanamide;hydrochloride has a molecular weight of 427.77 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-bromo-4-methoxyphenyl)-phenylmethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119318972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).