4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide

C19H21BrN2O3 — CID 8698575

IUPAC4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CCCOc2cccc(Br)c2)cc1
InChIInChI=1S/C19H21BrN2O3/c1-22(2)19(24)14-8-10-16(11-9-14)21-18(23)7-4-12-25-17-6-3-5-15(20)13-17/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,21,23)
InChIKeyFTYQYQNDZFSVLP-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.95
Rot. Bonds7

About 4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide

4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide (PubChem CID 8698575) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide
PubChem CID8698575
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CCCOc2cccc(Br)c2)cc1
InChIInChI=1S/C19H21BrN2O3/c1-22(2)19(24)14-8-10-16(11-9-14)21-18(23)7-4-12-25-17-6-3-5-15(20)13-17/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,21,23)
InChIKeyFTYQYQNDZFSVLP-UHFFFAOYSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide
CID 26687164
3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 26710610
N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide
CID 36860927
4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide
CID 2086539
4-(3-bromophenoxy)-N-[3-(3-cyanopropoxy)phenyl]butanamide
CID 55878833
3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 86931919
4-(3-bromophenoxy)-N-tert-butylbutanamide
CID 112763236
4-(3-bromophenoxy)-N-(3-nitrophenyl)butanamide
CID 7965665
methyl 3-[4-(3-bromophenoxy)butanoylamino]-4-chlorobenzoate
CID 31525526
4-[[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 55841289
3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide
CID 26579539
2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9252759

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide (CID 8698575) is 4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)CCCOc2cccc(Br)c2)cc1.
What is the InChIKey of 4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide?
The InChIKey is FTYQYQNDZFSVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-22(2)19(24)14-8-10-16(11-9-14)21-18(23)7-4-12-25-17-6-3-5-15(20)13-17/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,21,23).
What are the key properties of 4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide?
4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide has a molecular weight of 405.29 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 8698575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).