5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide

C16H15BrClNO2 — CID 17051414

IUPAC5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H15BrClNO2/c1-10(2)21-15-7-6-11(17)8-14(15)16(20)19-13-5-3-4-12(18)9-13/h3-10H,1-2H3,(H,19,20)
InChIKeyLMQZPOKIUZELKC-UHFFFAOYSA-N
MW368.66 g/mol
LogP5.14
Rot. Bonds4

About 5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide

5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide (PubChem CID 17051414) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide
PubChem CID17051414
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H15BrClNO2/c1-10(2)21-15-7-6-11(17)8-14(15)16(20)19-13-5-3-4-12(18)9-13/h3-10H,1-2H3,(H,19,20)
InChIKeyLMQZPOKIUZELKC-UHFFFAOYSA-N
XLogP5.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.66
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide
CID 17350678
5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17197517
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 26164799
5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide
CID 17187649
5-bromo-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzamide
CID 17051536
5-bromo-N-[3-(tert-butylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 28639516
5-bromo-N-[(3,5-dichlorophenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17051929
5-bromo-N-[3-(2-methoxyethylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17219067
5-bromo-N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-propan-2-yloxybenzamide
CID 17231426
4-[(5-bromo-2-propan-2-yloxybenzoyl)amino]benzoic acid
CID 54856038
5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 17227881
5-bromo-2-propan-2-yloxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 43887269

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide?
The IUPAC name of 5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide (CID 17051414) is 5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide is CC(C)Oc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide?
The InChIKey is LMQZPOKIUZELKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-10(2)21-15-7-6-11(17)8-14(15)16(20)19-13-5-3-4-12(18)9-13/h3-10H,1-2H3,(H,19,20).
What are the key properties of 5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide?
5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide has a molecular weight of 368.66 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide is sourced from PubChem (CID 17051414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).