3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide

C16H17BrN2O2 — CID 107868799

IUPAC3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)N[C@H](C)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O2/c1-10(11-3-5-13(17)6-4-11)19-16(20)12-7-14(18)9-15(8-12)21-2/h3-10H,18H2,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyODYDMDIQFWBIOW-SNVBAGLBSA-N
MW349.23 g/mol
LogP3.53
Rot. Bonds4

About 3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide

3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide (PubChem CID 107868799) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
PubChem CID107868799
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)N[C@H](C)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O2/c1-10(11-3-5-13(17)6-4-11)19-16(20)12-7-14(18)9-15(8-12)21-2/h3-10H,18H2,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyODYDMDIQFWBIOW-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

3-amino-5-methoxy-N-(1-thiophen-3-ylethyl)benzamide
CID 81091006
3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 94012593
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide
CID 115413632
3-amino-5-methoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 78985127
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
3,5-dimethoxy-N-[(1R)-1-(4-phenylphenyl)ethyl]benzamide
CID 7948871
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxybenzamide
CID 107869019
3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide
CID 60661014
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
CID 8752261
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
3-bromo-5-methoxy-N-propan-2-ylbenzamide
CID 138985588

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide?
The IUPAC name of 3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide (CID 107868799) is 3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide.
What is the SMILES notation for 3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide?
The canonical SMILES for 3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide is COc1cc(N)cc(C(=O)N[C@H](C)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide?
The InChIKey is ODYDMDIQFWBIOW-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10(11-3-5-13(17)6-4-11)19-16(20)12-7-14(18)9-15(8-12)21-2/h3-10H,18H2,1-2H3,(H,19,20)/t10-/m1/s1.
What are the key properties of 3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide?
3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-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 3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide is sourced from PubChem (CID 107868799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).