4-bromo-2-[[(1R)-1-phenylethyl]amino]benzamide

C15H15BrN2O — CID 125464660

IUPAC4-bromo-2-[[(1R)-1-phenylethyl]amino]benzamide
SMILESC[C@@H](Nc1cc(Br)ccc1C(N)=O)c1ccccc1
InChIInChI=1S/C15H15BrN2O/c1-10(11-5-3-2-4-6-11)18-14-9-12(16)7-8-13(14)15(17)19/h2-10,18H,1H3,(H2,17,19)/t10-/m1/s1
InChIKeyJXZBMZMSXBCSRO-SNVBAGLBSA-N
MW319.20 g/mol
LogP3.72
Rot. Bonds4

About 4-bromo-2-[[(1R)-1-phenylethyl]amino]benzamide

4-bromo-2-[[(1R)-1-phenylethyl]amino]benzamide (PubChem CID 125464660) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 4-bromo-2-[[(1R)-1-phenylethyl]amino]benzamide.

Molecular Properties

Compound Name4-bromo-2-[[(1R)-1-phenylethyl]amino]benzamide
PubChem CID125464660
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name4-bromo-2-[[(1R)-1-phenylethyl]amino]benzamide
SMILESC[C@@H](Nc1cc(Br)ccc1C(N)=O)c1ccccc1
InChIInChI=1S/C15H15BrN2O/c1-10(11-5-3-2-4-6-11)18-14-9-12(16)7-8-13(14)15(17)19/h2-10,18H,1H3,(H2,17,19)/t10-/m1/s1
InChIKeyJXZBMZMSXBCSRO-SNVBAGLBSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(1-phenylethylamino)benzamide
CID 113332401
2-(5-bromo-2-carbamoylanilino)butanoic acid
CID 114900890
6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide
CID 76789381
2-[1-(4-bromophenyl)ethylamino]-4-methylbenzoic acid
CID 63513424
2-(5-bromo-2-carbamoylanilino)-3-methoxypropanoic acid
CID 114901138
2-[1-(4-bromophenyl)ethylamino]-4-chlorobenzoic acid
CID 63513944
3-(5-bromo-2-carbamoylanilino)-5,5-dimethylhexanoic acid
CID 114901204
3-amino-4-(1-phenylethylamino)benzamide
CID 43448333
4-bromo-2-[2-(propan-2-ylamino)ethylamino]benzamide
CID 114905463
3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide
CID 93050367
2-[(5-bromo-2-carbamoylanilino)methyl]-3-methylbutanoic acid
CID 114901061
3-amino-2-[1-(3-bromophenyl)ethylamino]benzamide
CID 115934504

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[(1R)-1-phenylethyl]amino]benzamide?
The IUPAC name of 4-bromo-2-[[(1R)-1-phenylethyl]amino]benzamide (CID 125464660) is 4-bromo-2-[[(1R)-1-phenylethyl]amino]benzamide.
What is the SMILES notation for 4-bromo-2-[[(1R)-1-phenylethyl]amino]benzamide?
The canonical SMILES for 4-bromo-2-[[(1R)-1-phenylethyl]amino]benzamide is C[C@@H](Nc1cc(Br)ccc1C(N)=O)c1ccccc1.
What is the InChIKey of 4-bromo-2-[[(1R)-1-phenylethyl]amino]benzamide?
The InChIKey is JXZBMZMSXBCSRO-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10(11-5-3-2-4-6-11)18-14-9-12(16)7-8-13(14)15(17)19/h2-10,18H,1H3,(H2,17,19)/t10-/m1/s1.
What are the key properties of 4-bromo-2-[[(1R)-1-phenylethyl]amino]benzamide?
4-bromo-2-[[(1R)-1-phenylethyl]amino]benzamide has a molecular weight of 319.20 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[(1R)-1-phenylethyl]amino]benzamide is sourced from PubChem (CID 125464660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).