2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide

C15H13Br2NO — CID 1019458

IUPAC2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(Br)ccc1Br)c1ccccc1
InChIInChI=1S/C15H13Br2NO/c1-10(11-5-3-2-4-6-11)18-15(19)13-9-12(16)7-8-14(13)17/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyIBGCTMSFAXDDHR-JTQLQIEISA-N
MW383.08 g/mol
LogP4.70
Rot. Bonds3

About 2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide

2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 1019458) has the molecular formula C15H13Br2NO and a molecular weight of 383.08 g/mol. Its IUPAC name is 2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide
PubChem CID1019458
Molecular FormulaC15H13Br2NO
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(Br)ccc1Br)c1ccccc1
InChIInChI=1S/C15H13Br2NO/c1-10(11-5-3-2-4-6-11)18-15(19)13-9-12(16)7-8-14(13)17/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyIBGCTMSFAXDDHR-JTQLQIEISA-N
XLogP4.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.08
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide
CID 975653
2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 104920633
2-bromo-N-[(1R)-1-phenylethyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 51701500
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
CID 8752261
5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
CID 107868933
2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid
CID 81356390
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890
2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 4935078
5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 46582103
2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 114371335
3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 107951327
2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 103882711

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide (CID 1019458) is 2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1cc(Br)ccc1Br)c1ccccc1.
What is the InChIKey of 2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is IBGCTMSFAXDDHR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13Br2NO/c1-10(11-5-3-2-4-6-11)18-15(19)13-9-12(16)7-8-14(13)17/h2-10H,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of 2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide?
2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 383.08 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 1019458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).