N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide

C13H16BrClN2O2 — CID 110609883

IUPACN-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide
SMILESCC(=O)NCCCCNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H16BrClN2O2/c1-9(18)16-4-2-3-5-17-13(19)10-6-11(14)8-12(15)7-10/h6-8H,2-5H2,1H3,(H,16,18)(H,17,19)
InChIKeyYSIXUOIHVHFIGE-UHFFFAOYSA-N
MW347.64 g/mol
LogP2.75
Rot. Bonds6

About N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide

N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide (PubChem CID 110609883) has the molecular formula C13H16BrClN2O2 and a molecular weight of 347.64 g/mol. Its IUPAC name is N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide.

Molecular Properties

Compound NameN-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide
PubChem CID110609883
Molecular FormulaC13H16BrClN2O2
Molecular Weight347.64 g/mol
Exact Mass346.01
IUPAC NameN-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide
SMILESCC(=O)NCCCCNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H16BrClN2O2/c1-9(18)16-4-2-3-5-17-13(19)10-6-11(14)8-12(15)7-10/h6-8H,2-5H2,1H3,(H,16,18)(H,17,19)
InChIKeyYSIXUOIHVHFIGE-UHFFFAOYSA-N
XLogP2.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 52.75
H-Bond Donors ≤ 52
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-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107342962
3-bromo-5-chloro-N-hex-5-ynylbenzamide
CID 103827024
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
3-bromo-5-chloro-N-(2-methylsulfinylethyl)benzamide
CID 103826990
3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide
CID 103826764
3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide
CID 103826993
3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 113286145
3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide
CID 103826635
N-(5-bromopentyl)-3,5-dichlorobenzamide
CID 107322072
ethyl 3-[(3-bromo-5-chlorobenzoyl)amino]propanoate
CID 103826754
3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide
CID 107952345
3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 107940200

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide?
The IUPAC name of N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide (CID 110609883) is N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide.
What is the SMILES notation for N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide?
The canonical SMILES for N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide is CC(=O)NCCCCNC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide?
The InChIKey is YSIXUOIHVHFIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O2/c1-9(18)16-4-2-3-5-17-13(19)10-6-11(14)8-12(15)7-10/h6-8H,2-5H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide?
N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide has a molecular weight of 347.64 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide is sourced from PubChem (CID 110609883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).