N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide

C14H17BrClNO — CID 102872326

IUPACN-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
SMILESO=C(c1ccc(Cl)cc1)N(CCCBr)C1CCC1
InChIInChI=1S/C14H17BrClNO/c15-9-2-10-17(13-3-1-4-13)14(18)11-5-7-12(16)8-6-11/h5-8,13H,1-4,9-10H2
InChIKeyFVNULHZJOWXCHP-UHFFFAOYSA-N
MW330.65 g/mol
LogP4.12
Rot. Bonds5

About N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide

N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide (PubChem CID 102872326) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
PubChem CID102872326
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC NameN-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
SMILESO=C(c1ccc(Cl)cc1)N(CCCBr)C1CCC1
InChIInChI=1S/C14H17BrClNO/c15-9-2-10-17(13-3-1-4-13)14(18)11-5-7-12(16)8-6-11/h5-8,13H,1-4,9-10H2
InChIKeyFVNULHZJOWXCHP-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 54.12
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

N-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide
CID 102872235
3-bromo-N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 107994367
N-(3-bromopropyl)-3-chloro-N-cyclobutyl-4-iodobenzamide
CID 103212872
N-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide
CID 102872269
3-bromo-N-(3-bromopropyl)-5-chloro-N-cyclobutylbenzamide
CID 107941502
N-(3-bromopropyl)-5-chloro-N-cyclobutyl-2-iodobenzamide
CID 114029735
N-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide
CID 102922878
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide
CID 82878746
N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide
CID 102873060
4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102861173
N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide
CID 80658625
N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
CID 102872443

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide?
The IUPAC name of N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide (CID 102872326) is N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide.
What is the SMILES notation for N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide?
The canonical SMILES for N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide is O=C(c1ccc(Cl)cc1)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide?
The InChIKey is FVNULHZJOWXCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c15-9-2-10-17(13-3-1-4-13)14(18)11-5-7-12(16)8-6-11/h5-8,13H,1-4,9-10H2.
What are the key properties of N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide?
N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide has a molecular weight of 330.65 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide is sourced from PubChem (CID 102872326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).