3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide

C15H22BrClN2O — CID 103841799

IUPAC3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide
SMILESCC(C)N(C)CCCCNC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H22BrClN2O/c1-11(2)19(3)9-5-4-8-18-15(20)12-6-7-14(17)13(16)10-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,20)
InChIKeyCDOBBXIMTVZFRR-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.95
Rot. Bonds7

About 3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide

3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide (PubChem CID 103841799) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide
PubChem CID103841799
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC Name3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide
SMILESCC(C)N(C)CCCCNC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H22BrClN2O/c1-11(2)19(3)9-5-4-8-18-15(20)12-6-7-14(17)13(16)10-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,20)
InChIKeyCDOBBXIMTVZFRR-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide
CID 79465134
3-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 110610259
methyl 6-[(3-bromo-4-chlorobenzoyl)amino]hexanoate
CID 103841612
N-[4-[methyl(propan-2-yl)amino]butyl]-4-sulfanylbenzamide
CID 107027548
3-bromo-4-chloro-N-(5-iodopentyl)benzamide
CID 107994465
5-[(3-bromo-4-chlorobenzoyl)amino]pentanoic acid
CID 107997905
3-bromo-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 113244840
2-bromo-5-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide
CID 81002289
3-bromo-4-chloro-N-(3-methylsulfinylpropyl)benzamide
CID 103842015
N-(5-amino-5-sulfanylidenepentyl)-3-bromo-4-chlorobenzamide
CID 114025855
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103719046
6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
CID 63979376

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide?
The IUPAC name of 3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide (CID 103841799) is 3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide is CC(C)N(C)CCCCNC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide?
The InChIKey is CDOBBXIMTVZFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2O/c1-11(2)19(3)9-5-4-8-18-15(20)12-6-7-14(17)13(16)10-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,20).
What are the key properties of 3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide?
3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide has a molecular weight of 361.71 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide is sourced from PubChem (CID 103841799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).