N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide

C14H18BrNO2 — CID 112520991

IUPACN-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H18BrNO2/c1-18-13-8-2-10(3-9-13)14(17)16-12-6-4-11(15)5-7-12/h4-7,10,13H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyOSFGNJOHKCWQOU-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.59
Rot. Bonds3

About N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide

N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide (PubChem CID 112520991) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide
PubChem CID112520991
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H18BrNO2/c1-18-13-8-2-10(3-9-13)14(17)16-12-6-4-11(15)5-7-12/h4-7,10,13H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyOSFGNJOHKCWQOU-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide
CID 112521544
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144381
4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145333
4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 67238948
N-(4-bromophenyl)-2-methoxycyclopropane-1-carboxamide
CID 164645796
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
CID 97427532
4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide
CID 112526211
methyl N-[4-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]phenyl]carbamate
CID 55804770
N-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide
CID 112685719
N-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859688

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide (CID 112520991) is N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide is COC1CCC(C(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide?
The InChIKey is OSFGNJOHKCWQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-18-13-8-2-10(3-9-13)14(17)16-12-6-4-11(15)5-7-12/h4-7,10,13H,2-3,8-9H2,1H3,(H,16,17).
What are the key properties of N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide?
N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 112520991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).