N-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide

C14H18BrNO3 — CID 115150743

IUPACN-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(O)CC2)cc1Br
InChIInChI=1S/C14H18BrNO3/c1-19-13-7-4-10(8-12(13)15)16-14(18)9-2-5-11(17)6-3-9/h4,7-9,11,17H,2-3,5-6H2,1H3,(H,16,18)
InChIKeyCEUKHYLTEGLKFR-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.95
Rot. Bonds3

About N-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide

N-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide (PubChem CID 115150743) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide
PubChem CID115150743
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC NameN-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(O)CC2)cc1Br
InChIInChI=1S/C14H18BrNO3/c1-19-13-7-4-10(8-12(13)15)16-14(18)9-2-5-11(17)6-3-9/h4,7-9,11,17H,2-3,5-6H2,1H3,(H,16,18)
InChIKeyCEUKHYLTEGLKFR-UHFFFAOYSA-N
XLogP2.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120989691
3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide
CID 46475324
(2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945371
N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide
CID 112521544
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 81488925
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
N-(3-bromo-4-methoxyphenyl)carbamoyl chloride
CID 115194346
N-[(3,4-dimethoxyphenyl)carbamothioyl]cyclopropanecarboxamide
CID 54781579
N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide
CID 3546890
4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928597
3-bromo-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]-4-methoxybenzamide
CID 4502168

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide (CID 115150743) is N-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide is COc1ccc(NC(=O)C2CCC(O)CC2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is CEUKHYLTEGLKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-19-13-7-4-10(8-12(13)15)16-14(18)9-2-5-11(17)6-3-9/h4,7-9,11,17H,2-3,5-6H2,1H3,(H,16,18).
What are the key properties of N-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide?
N-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 328.21 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 115150743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).