N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide

C15H19BrFNO2 — CID 114314064

IUPACN-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2(CBr)CCCCC2)ccc1F
InChIInChI=1S/C15H19BrFNO2/c1-20-13-9-11(5-6-12(13)17)14(19)18-15(10-16)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKeyYIPNKKIJZGJGMZ-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.66
Rot. Bonds4

About N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide

N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide (PubChem CID 114314064) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide
PubChem CID114314064
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC NameN-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2(CBr)CCCCC2)ccc1F
InChIInChI=1S/C15H19BrFNO2/c1-20-13-9-11(5-6-12(13)17)14(19)18-15(10-16)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKeyYIPNKKIJZGJGMZ-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.66
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-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide
CID 114314007
N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide
CID 81041266
N-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
CID 114303483
N-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide
CID 107993984
N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide
CID 114311465
2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672188
N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide
CID 81284787
N-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxy-4-methylbenzamide
CID 114315089
N-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 114314181
N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide
CID 62516961
2-[(4-fluoro-3-methoxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120545433
N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide
CID 81284858

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide (CID 114314064) is N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)NC2(CBr)CCCCC2)ccc1F.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide?
The InChIKey is YIPNKKIJZGJGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO2/c1-20-13-9-11(5-6-12(13)17)14(19)18-15(10-16)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19).
What are the key properties of N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide?
N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide has a molecular weight of 344.22 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 114314064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).