N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide

C15H13BrClNO2 — CID 47097730

IUPACN-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide
SMILESCC(NC(=O)c1ccc(O)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrClNO2/c1-9(10-2-5-12(16)6-3-10)18-15(20)11-4-7-14(19)13(17)8-11/h2-9,19H,1H3,(H,18,20)
InChIKeyWJRJPXRHIRUUJX-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.30
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide

N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide (PubChem CID 47097730) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide
PubChem CID47097730
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC NameN-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide
SMILESCC(NC(=O)c1ccc(O)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrClNO2/c1-9(10-2-5-12(16)6-3-10)18-15(20)11-4-7-14(19)13(17)8-11/h2-9,19H,1H3,(H,18,20)
InChIKeyWJRJPXRHIRUUJX-UHFFFAOYSA-N
XLogP4.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide
CID 43297503
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 81359194
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide
CID 51933816
N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 47097753
3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 48692579
N-[1-(4-bromophenyl)ethyl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide
CID 47059465
N-[1-(4-bromophenyl)ethyl]-3-hydroxy-4-nitrobenzamide
CID 24544683
3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 31206996
5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide
CID 103600185
N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide
CID 45351842
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide (CID 47097730) is N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide is CC(NC(=O)c1ccc(O)c(Cl)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide?
The InChIKey is WJRJPXRHIRUUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-9(10-2-5-12(16)6-3-10)18-15(20)11-4-7-14(19)13(17)8-11/h2-9,19H,1H3,(H,18,20).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide?
N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide has a molecular weight of 354.63 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide is sourced from PubChem (CID 47097730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).