5-bromo-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzamide

C17H17BrClNO2 — CID 17051536

IUPAC5-bromo-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc(Br)ccc1OC(C)C
InChIInChI=1S/C17H17BrClNO2/c1-10(2)22-16-7-5-12(18)8-14(16)17(21)20-15-9-13(19)6-4-11(15)3/h4-10H,1-3H3,(H,20,21)
InChIKeyATDPULXOWJZQTJ-UHFFFAOYSA-N
MW382.69 g/mol
LogP5.45
Rot. Bonds4

About 5-bromo-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzamide

5-bromo-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzamide (PubChem CID 17051536) has the molecular formula C17H17BrClNO2 and a molecular weight of 382.69 g/mol. Its IUPAC name is 5-bromo-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzamide
PubChem CID17051536
Molecular FormulaC17H17BrClNO2
Molecular Weight382.69 g/mol
Exact Mass381.01
IUPAC Name5-bromo-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc(Br)ccc1OC(C)C
InChIInChI=1S/C17H17BrClNO2/c1-10(2)22-16-7-5-12(18)8-14(16)17(21)20-15-9-13(19)6-4-11(15)3/h4-10H,1-3H3,(H,20,21)
InChIKeyATDPULXOWJZQTJ-UHFFFAOYSA-N
XLogP5.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.69
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamido-4-methylphenyl)-5-bromo-2-propan-2-yloxybenzamide
CID 54777470
5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide
CID 17051414
5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide
CID 54784461
N-(2-amino-5-chlorophenyl)-5-bromo-2-methylbenzamide
CID 65306711
2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid
CID 1231034
5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051761
4-[(5-bromo-2-propan-2-yloxybenzoyl)amino]benzoic acid
CID 54856038
5-bromo-N-[(3,5-dichlorophenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17051929
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
CID 60643994
(3-chloro-4-methylphenyl) 5-bromo-2-propan-2-yloxybenzoate
CID 23013215
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 26164799

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzamide?
The IUPAC name of 5-bromo-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzamide (CID 17051536) is 5-bromo-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-bromo-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-bromo-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzamide is Cc1ccc(Cl)cc1NC(=O)c1cc(Br)ccc1OC(C)C.
What is the InChIKey of 5-bromo-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzamide?
The InChIKey is ATDPULXOWJZQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO2/c1-10(2)22-16-7-5-12(18)8-14(16)17(21)20-15-9-13(19)6-4-11(15)3/h4-10H,1-3H3,(H,20,21).
What are the key properties of 5-bromo-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzamide?
5-bromo-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzamide has a molecular weight of 382.69 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzamide is sourced from PubChem (CID 17051536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).