N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide

C15H20BrNO2 — CID 106128639

IUPACN-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCC2CCC(Br)C2)ccc1C
InChIInChI=1S/C15H20BrNO2/c1-10-3-5-12(8-14(10)19-2)15(18)17-9-11-4-6-13(16)7-11/h3,5,8,11,13H,4,6-7,9H2,1-2H3,(H,17,18)
InChIKeyATIFTLQFFWFNAH-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.30
Rot. Bonds4

About N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide

N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide (PubChem CID 106128639) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide
PubChem CID106128639
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCC2CCC(Br)C2)ccc1C
InChIInChI=1S/C15H20BrNO2/c1-10-3-5-12(8-14(10)19-2)15(18)17-9-11-4-6-13(16)7-11/h3,5,8,11,13H,4,6-7,9H2,1-2H3,(H,17,18)
InChIKeyATIFTLQFFWFNAH-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide
CID 114147220
N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide
CID 106133824
N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-nitrobenzamide
CID 106128710
N-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide
CID 106127832
N-[(3-bromocyclopentyl)methyl]-4-chloro-3-methylbenzamide
CID 106129095
N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 106128032
N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide
CID 106133207
N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide
CID 106128171
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide
CID 114147272
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide
CID 103280557

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide (CID 106128639) is N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NCC2CCC(Br)C2)ccc1C.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide?
The InChIKey is ATIFTLQFFWFNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-10-3-5-12(8-14(10)19-2)15(18)17-9-11-4-6-13(16)7-11/h3,5,8,11,13H,4,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide?
N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide has a molecular weight of 326.23 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 106128639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).