4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide

C14H19Br2NO — CID 80661501

IUPAC4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide
SMILESCc1cc(Br)ccc1C(=O)N(CCCBr)C(C)C
InChIInChI=1S/C14H19Br2NO/c1-10(2)17(8-4-7-15)14(18)13-6-5-12(16)9-11(13)3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyGRTVQOVVFGXELQ-UHFFFAOYSA-N
MW377.12 g/mol
LogP4.39
Rot. Bonds5

About 4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide

4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide (PubChem CID 80661501) has the molecular formula C14H19Br2NO and a molecular weight of 377.12 g/mol. Its IUPAC name is 4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide
PubChem CID80661501
Molecular FormulaC14H19Br2NO
Molecular Weight377.12 g/mol
Exact Mass374.98
IUPAC Name4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide
SMILESCc1cc(Br)ccc1C(=O)N(CCCBr)C(C)C
InChIInChI=1S/C14H19Br2NO/c1-10(2)17(8-4-7-15)14(18)13-6-5-12(16)9-11(13)3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyGRTVQOVVFGXELQ-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.12
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 80661582
4-bromo-N-(3-bromopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 107333532
2-bromo-N-(3-bromopropyl)-4-chloro-N-propan-2-ylbenzamide
CID 114025198
2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide
CID 107983921
4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide
CID 104556235
2,4-dibromo-N-propan-2-yl-N-propylbenzamide
CID 107951573
5-bromo-2-hydroxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 107729713
4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 115369231
4-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
CID 114316945
4-bromo-N-(6-bromohexyl)-2-methylbenzamide
CID 107847484
N-(3-bromopropyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide
CID 80662286
N-(3-bromopropyl)-2-nitro-N-propan-2-ylbenzamide
CID 80662381

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide (CID 80661501) is 4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide is Cc1cc(Br)ccc1C(=O)N(CCCBr)C(C)C.
What is the InChIKey of 4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide?
The InChIKey is GRTVQOVVFGXELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO/c1-10(2)17(8-4-7-15)14(18)13-6-5-12(16)9-11(13)3/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide?
4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide has a molecular weight of 377.12 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 80661501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).