4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide

C14H19Br2NO2 — CID 107157714

IUPAC4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NCC(Br)CC(C)C
InChIInChI=1S/C14H19Br2NO2/c1-9(2)6-11(16)8-17-14(18)12-5-4-10(15)7-13(12)19-3/h4-5,7,9,11H,6,8H2,1-3H3,(H,17,18)
InChIKeySWSPDMFNDGCTKJ-UHFFFAOYSA-N
MW393.12 g/mol
LogP4.00
Rot. Bonds6

About 4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide

4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide (PubChem CID 107157714) has the molecular formula C14H19Br2NO2 and a molecular weight of 393.12 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide
PubChem CID107157714
Molecular FormulaC14H19Br2NO2
Molecular Weight393.12 g/mol
Exact Mass390.98
IUPAC Name4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NCC(Br)CC(C)C
InChIInChI=1S/C14H19Br2NO2/c1-9(2)6-11(16)8-17-14(18)12-5-4-10(15)7-13(12)19-3/h4-5,7,9,11H,6,8H2,1-3H3,(H,17,18)
InChIKeySWSPDMFNDGCTKJ-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.12
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906384
N-(2-bromo-4-methylpentyl)-2-methoxy-4-nitrobenzamide
CID 107157781
4-[(4-bromo-2-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 113295975
4-bromo-N-(2-ethoxypropyl)-2-methoxybenzamide
CID 115648993
4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide
CID 114100346
4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103726237
4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide
CID 107300567
2-[(4-bromo-2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 115368583
4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
CID 115369513
4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide
CID 115409622
4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 115369589
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide (CID 107157714) is 4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)NCC(Br)CC(C)C.
What is the InChIKey of 4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide?
The InChIKey is SWSPDMFNDGCTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO2/c1-9(2)6-11(16)8-17-14(18)12-5-4-10(15)7-13(12)19-3/h4-5,7,9,11H,6,8H2,1-3H3,(H,17,18).
What are the key properties of 4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide?
4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide has a molecular weight of 393.12 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide is sourced from PubChem (CID 107157714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).