5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide

C15H14BrFN2O — CID 115297455

IUPAC5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cc(N)ccc1Br)c1ccc(F)cc1
InChIInChI=1S/C15H14BrFN2O/c1-9(10-2-4-11(17)5-3-10)19-15(20)13-8-12(18)6-7-14(13)16/h2-9H,18H2,1H3,(H,19,20)/t9-/m1/s1
InChIKeyDLXJVYZWIPGWOD-SECBINFHSA-N
MW337.19 g/mol
LogP3.66
Rot. Bonds3

About 5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide

5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 115297455) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
PubChem CID115297455
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cc(N)ccc1Br)c1ccc(F)cc1
InChIInChI=1S/C15H14BrFN2O/c1-9(10-2-4-11(17)5-3-10)19-15(20)13-8-12(18)6-7-14(13)16/h2-9H,18H2,1H3,(H,19,20)/t9-/m1/s1
InChIKeyDLXJVYZWIPGWOD-SECBINFHSA-N
XLogP3.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-aminophenyl)ethyl]-2-bromo-5-fluorobenzamide
CID 43297707
5-amino-2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 115297266
5-amino-N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide
CID 61118117
2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4782933
2-bromo-N-[1-(4-cyanophenyl)ethyl]-5-fluorobenzamide
CID 60736786
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide
CID 107869053
2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 46579861
5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 115297476
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide
CID 81354408
2,5-dibromo-N-[1-(4-fluorophenyl)ethyl]thiophene-3-carboxamide
CID 113237232
5-amino-N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296055
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxybenzamide
CID 107869019

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide (CID 115297455) is 5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide is C[C@@H](NC(=O)c1cc(N)ccc1Br)c1ccc(F)cc1.
What is the InChIKey of 5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is DLXJVYZWIPGWOD-SECBINFHSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-9(10-2-4-11(17)5-3-10)19-15(20)13-8-12(18)6-7-14(13)16/h2-9H,18H2,1H3,(H,19,20)/t9-/m1/s1.
What are the key properties of 5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 337.19 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 115297455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).