N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide

C14H18BrNO — CID 766715

IUPACN-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
SMILESCc1cc(NC(=O)C2CCCCC2)ccc1Br
InChIInChI=1S/C14H18BrNO/c1-10-9-12(7-8-13(10)15)16-14(17)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)
InChIKeyUUHXKYMJPIHRSK-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.28
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide

N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide (PubChem CID 766715) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
PubChem CID766715
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
SMILESCc1cc(NC(=O)C2CCCCC2)ccc1Br
InChIInChI=1S/C14H18BrNO/c1-10-9-12(7-8-13(10)15)16-14(17)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)
InChIKeyUUHXKYMJPIHRSK-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide
CID 63042324
N-(3-amino-4-bromophenyl)cyclohexanecarboxamide
CID 79767895
4-(cyclooctanecarbonylamino)-2-methylbenzoic acid
CID 65019247
tert-butyl 3-[(4-bromo-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554271
N-(4-amino-3-bromophenyl)cycloheptanecarboxamide
CID 82861556
N-(4-amino-3-bromophenyl)cyclohexanecarboxamide
CID 82861844
(3R)-N-(4-bromo-3-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 8572465
(3S)-N-(4-bromo-3-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082833
N-(4-bromo-3-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583700
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-[1-(4-bromo-3-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 15997079

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide (CID 766715) is N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide is Cc1cc(NC(=O)C2CCCCC2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide?
The InChIKey is UUHXKYMJPIHRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10-9-12(7-8-13(10)15)16-14(17)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17).
What are the key properties of N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide?
N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide has a molecular weight of 296.21 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 766715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).