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

C14H19Br2NO — CID 107983921

IUPAC2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide
SMILESCc1cccc(C(=O)N(CCCBr)C(C)C)c1Br
InChIInChI=1S/C14H19Br2NO/c1-10(2)17(9-5-8-15)14(18)12-7-4-6-11(3)13(12)16/h4,6-7,10H,5,8-9H2,1-3H3
InChIKeyASRDEOWGWBUUOS-UHFFFAOYSA-N
MW377.12 g/mol
LogP4.39
Rot. Bonds5

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

2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide (PubChem CID 107983921) has the molecular formula C14H19Br2NO and a molecular weight of 377.12 g/mol. Its IUPAC name is 2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide
PubChem CID107983921
Molecular FormulaC14H19Br2NO
Molecular Weight377.12 g/mol
Exact Mass374.98
IUPAC Name2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide
SMILESCc1cccc(C(=O)N(CCCBr)C(C)C)c1Br
InChIInChI=1S/C14H19Br2NO/c1-10(2)17(9-5-8-15)14(18)12-7-4-6-11(3)13(12)16/h4,6-7,10H,5,8-9H2,1-3H3
InChIKeyASRDEOWGWBUUOS-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'}

Analyze 2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 107982464
5-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 80661582
4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 80661501
N-(3-bromopropyl)-2-nitro-N-propan-2-ylbenzamide
CID 80662381
N-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide
CID 80662580
N-(3-bromopropyl)-2-fluoro-N-propan-2-yl-3-(trifluoromethyl)benzamide
CID 80656669
N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 43136684
2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide
CID 107984024
2-bromo-N-(3-bromopropyl)-4-chloro-N-propan-2-ylbenzamide
CID 114025198
N-(2-bromoethyl)-2,3-dichloro-N-propan-2-ylbenzamide
CID 80665677
3-bromopropyl 2-bromo-3-methylbenzoate
CID 169490513
N-(3-bromopropyl)-3-chloro-N-propan-2-ylbenzamide
CID 80662095

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide (CID 107983921) is 2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide is Cc1cccc(C(=O)N(CCCBr)C(C)C)c1Br.
What is the InChIKey of 2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide?
The InChIKey is ASRDEOWGWBUUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO/c1-10(2)17(9-5-8-15)14(18)12-7-4-6-11(3)13(12)16/h4,6-7,10H,5,8-9H2,1-3H3.
What are the key properties of 2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide?
2-bromo-N-(3-bromopropyl)-3-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 2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 107983921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).