5-bromo-2-chloro-N-(1-phenylethyl)benzamide

C15H13BrClNO — CID 2953712

IUPAC5-bromo-2-chloro-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cc(Br)ccc1Cl)c1ccccc1
InChIInChI=1S/C15H13BrClNO/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)
InChIKeyNNTIHXDYGVQYTC-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.59
Rot. Bonds3

About 5-bromo-2-chloro-N-(1-phenylethyl)benzamide

5-bromo-2-chloro-N-(1-phenylethyl)benzamide (PubChem CID 2953712) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(1-phenylethyl)benzamide
PubChem CID2953712
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name5-bromo-2-chloro-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cc(Br)ccc1Cl)c1ccccc1
InChIInChI=1S/C15H13BrClNO/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)
InChIKeyNNTIHXDYGVQYTC-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(1-phenylethyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(1-phenylethyl)benzamide (CID 2953712) is 5-bromo-2-chloro-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(1-phenylethyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(1-phenylethyl)benzamide is CC(NC(=O)c1cc(Br)ccc1Cl)c1ccccc1.
What is the InChIKey of 5-bromo-2-chloro-N-(1-phenylethyl)benzamide?
The InChIKey is NNTIHXDYGVQYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/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).
What are the key properties of 5-bromo-2-chloro-N-(1-phenylethyl)benzamide?
5-bromo-2-chloro-N-(1-phenylethyl)benzamide has a molecular weight of 338.63 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 2953712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).