2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide

C16H17BrN2O2 — CID 115413632

IUPAC2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2)c(N)c1
InChIInChI=1S/C16H17BrN2O2/c1-10(11-3-5-12(17)6-4-11)19-16(20)14-8-7-13(21-2)9-15(14)18/h3-10H,18H2,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyHTSYMIRAKASGOY-SNVBAGLBSA-N
MW349.23 g/mol
LogP3.53
Rot. Bonds4

About 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide

2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide (PubChem CID 115413632) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide
PubChem CID115413632
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2)c(N)c1
InChIInChI=1S/C16H17BrN2O2/c1-10(11-3-5-12(17)6-4-11)19-16(20)14-8-7-13(21-2)9-15(14)18/h3-10H,18H2,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyHTSYMIRAKASGOY-SNVBAGLBSA-N
XLogP3.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
CID 8752261
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61118306
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid
CID 96696434
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxybenzamide
CID 107869019
3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
CID 107868799
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide
CID 107218626
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479
2-[(2-amino-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 80504248
2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 60739114
2-amino-4-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 106388368

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide (CID 115413632) is 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2)c(N)c1.
What is the InChIKey of 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide?
The InChIKey is HTSYMIRAKASGOY-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10(11-3-5-12(17)6-4-11)19-16(20)14-8-7-13(21-2)9-15(14)18/h3-10H,18H2,1-2H3,(H,19,20)/t10-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide?
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide has a molecular weight of 349.23 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 115413632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).