N-(4-bromocyclohexyl)-2-methoxybenzamide

C14H18BrNO2 — CID 113274302

IUPACN-(4-bromocyclohexyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CCC(Br)CC1
InChIInChI=1S/C14H18BrNO2/c1-18-13-5-3-2-4-12(13)14(17)16-11-8-6-10(15)7-9-11/h2-5,10-11H,6-9H2,1H3,(H,16,17)
InChIKeyAGVHRECXRHDYIP-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.13
Rot. Bonds3

About N-(4-bromocyclohexyl)-2-methoxybenzamide

N-(4-bromocyclohexyl)-2-methoxybenzamide (PubChem CID 113274302) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-2-methoxybenzamide
PubChem CID113274302
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-(4-bromocyclohexyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CCC(Br)CC1
InChIInChI=1S/C14H18BrNO2/c1-18-13-5-3-2-4-12(13)14(17)16-11-8-6-10(15)7-9-11/h2-5,10-11H,6-9H2,1H3,(H,16,17)
InChIKeyAGVHRECXRHDYIP-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.13
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

2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 5173361
N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide
CID 113274311
2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894
2-methoxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653454
N-(4-bromocyclohexyl)-3-methoxypyridine-4-carboxamide
CID 105064552
N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide
CID 114309013
2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide
CID 126855667
N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-2-methoxybenzamide
CID 124892081
N-[2-(cyclopropylamino)ethyl]-2-methoxybenzamide
CID 62665285
2,3-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653208
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-2-methoxybenzamide?
The IUPAC name of N-(4-bromocyclohexyl)-2-methoxybenzamide (CID 113274302) is N-(4-bromocyclohexyl)-2-methoxybenzamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-2-methoxybenzamide?
The canonical SMILES for N-(4-bromocyclohexyl)-2-methoxybenzamide is COc1ccccc1C(=O)NC1CCC(Br)CC1.
What is the InChIKey of N-(4-bromocyclohexyl)-2-methoxybenzamide?
The InChIKey is AGVHRECXRHDYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-18-13-5-3-2-4-12(13)14(17)16-11-8-6-10(15)7-9-11/h2-5,10-11H,6-9H2,1H3,(H,16,17).
What are the key properties of N-(4-bromocyclohexyl)-2-methoxybenzamide?
N-(4-bromocyclohexyl)-2-methoxybenzamide has a molecular weight of 312.21 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)-2-methoxybenzamide is sourced from PubChem (CID 113274302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).