4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide

C15H21BrClNO — CID 102914681

IUPAC4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
SMILESCC(C)C(CNC(=O)c1ccc(Br)cc1Cl)C(C)C
InChIInChI=1S/C15H21BrClNO/c1-9(2)13(10(3)4)8-18-15(19)12-6-5-11(16)7-14(12)17/h5-7,9-10,13H,8H2,1-4H3,(H,18,19)
InChIKeyKHEHJDQMTNJKKJ-UHFFFAOYSA-N
MW346.70 g/mol
LogP4.76
Rot. Bonds5

About 4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide

4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide (PubChem CID 102914681) has the molecular formula C15H21BrClNO and a molecular weight of 346.70 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
PubChem CID102914681
Molecular FormulaC15H21BrClNO
Molecular Weight346.70 g/mol
Exact Mass345.05
IUPAC Name4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
SMILESCC(C)C(CNC(=O)c1ccc(Br)cc1Cl)C(C)C
InChIInChI=1S/C15H21BrClNO/c1-9(2)13(10(3)4)8-18-15(19)12-6-5-11(16)7-14(12)17/h5-7,9-10,13H,8H2,1-4H3,(H,18,19)
InChIKeyKHEHJDQMTNJKKJ-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906485
4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906384
(2S)-3-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833572
4-bromo-2-chloro-N-(2-hydroxypentyl)benzamide
CID 113258679
4-bromo-2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113248495
4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915104
4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide
CID 43805745
2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914643
4-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859840
4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide
CID 114151560
2-(4-bromo-2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914789
4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide
CID 61401019

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The IUPAC name of 4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide (CID 102914681) is 4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide is CC(C)C(CNC(=O)c1ccc(Br)cc1Cl)C(C)C.
What is the InChIKey of 4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The InChIKey is KHEHJDQMTNJKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO/c1-9(2)13(10(3)4)8-18-15(19)12-6-5-11(16)7-14(12)17/h5-7,9-10,13H,8H2,1-4H3,(H,18,19).
What are the key properties of 4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide has a molecular weight of 346.70 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide is sourced from PubChem (CID 102914681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).