4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide

C14H17BrClNO2 — CID 113296210

IUPAC4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide
SMILESCOc1cc(Br)ccc1C(=O)N(C)CC1CC(Cl)C1
InChIInChI=1S/C14H17BrClNO2/c1-17(8-9-5-11(16)6-9)14(18)12-4-3-10(15)7-13(12)19-2/h3-4,7,9,11H,5-6,8H2,1-2H3
InChIKeyWWKZZCHUNXVYGM-UHFFFAOYSA-N
MW346.65 g/mol
LogP3.55
Rot. Bonds4

About 4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide

4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide (PubChem CID 113296210) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is 4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide
PubChem CID113296210
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC Name4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide
SMILESCOc1cc(Br)ccc1C(=O)N(C)CC1CC(Cl)C1
InChIInChI=1S/C14H17BrClNO2/c1-17(8-9-5-11(16)6-9)14(18)12-4-3-10(15)7-13(12)19-2/h3-4,7,9,11H,5-6,8H2,1-2H3
InChIKeyWWKZZCHUNXVYGM-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 115369278
4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide
CID 115370131
N-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide
CID 105064491
2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide
CID 114025196
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 78988590
4-bromo-N-[(3-bromocyclobutyl)methyl]-2-fluoro-N-methylbenzamide
CID 80673461
4-bromo-N-butyl-2-methoxy-N-methylbenzamide
CID 78987650
4-bromo-2-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 78987861
3,5-dibromo-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide
CID 107974843
4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 78987855
4-[(4-bromo-2-methoxybenzoyl)-methylamino]butanoic acid
CID 81360925
4-bromo-N-(2-ethoxyethyl)-2-methoxy-N-methylbenzamide
CID 113296075

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide?
The IUPAC name of 4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide (CID 113296210) is 4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide?
The canonical SMILES for 4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide is COc1cc(Br)ccc1C(=O)N(C)CC1CC(Cl)C1.
What is the InChIKey of 4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide?
The InChIKey is WWKZZCHUNXVYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2/c1-17(8-9-5-11(16)6-9)14(18)12-4-3-10(15)7-13(12)19-2/h3-4,7,9,11H,5-6,8H2,1-2H3.
What are the key properties of 4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide?
4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide has a molecular weight of 346.65 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 113296210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).