N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide

C14H18BrNO — CID 798737

IUPACN-(4-bromo-2-methylphenyl)cyclohexanecarboxamide
SMILESCc1cc(Br)ccc1NC(=O)C1CCCCC1
InChIInChI=1S/C14H18BrNO/c1-10-9-12(15)7-8-13(10)16-14(17)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)
InChIKeyBBKWQRLQCOTOBX-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.28
Rot. Bonds2

About N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide

N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide (PubChem CID 798737) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)cyclohexanecarboxamide
PubChem CID798737
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-(4-bromo-2-methylphenyl)cyclohexanecarboxamide
SMILESCc1cc(Br)ccc1NC(=O)C1CCCCC1
InChIInChI=1S/C14H18BrNO/c1-10-9-12(15)7-8-13(10)16-14(17)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)
InChIKeyBBKWQRLQCOTOBX-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-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143
1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide
CID 110686178
N-(4-bromo-2-methylphenyl)-1,1-dioxothiane-3-carboxamide
CID 110863036
N-(4-amino-2-methylphenyl)cycloheptanecarboxamide
CID 55091677
5-bromo-2-(cycloheptanecarbonylamino)benzoic acid
CID 63405295
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
5-bromo-2-(cyclopentanecarbonylamino)benzoic acid
CID 45434105
4-N-(4-bromo-2-methylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 56922800
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
N-(4-bromo-2-carbamothioylphenyl)cyclooctanecarboxamide
CID 82695033
(2S)-N-(4-bromo-2-methylphenyl)oxetane-2-carboxamide
CID 97247026

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide (CID 798737) is N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide is Cc1cc(Br)ccc1NC(=O)C1CCCCC1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide?
The InChIKey is BBKWQRLQCOTOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10-9-12(15)7-8-13(10)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-2-methylphenyl)cyclohexanecarboxamide?
N-(4-bromo-2-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-2-methylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 798737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).