N-(2-bromophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide

C16H23BrN2O — CID 63994904

IUPACN-(2-bromophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide
SMILESCC1CCC(NCC(=O)Nc2ccccc2Br)C(C)C1
InChIInChI=1S/C16H23BrN2O/c1-11-7-8-14(12(2)9-11)18-10-16(20)19-15-6-4-3-5-13(15)17/h3-6,11-12,14,18H,7-10H2,1-2H3,(H,19,20)
InChIKeyQCBXHWMWHGDTDC-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.80
Rot. Bonds4

About N-(2-bromophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide

N-(2-bromophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide (PubChem CID 63994904) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide
PubChem CID63994904
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-(2-bromophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide
SMILESCC1CCC(NCC(=O)Nc2ccccc2Br)C(C)C1
InChIInChI=1S/C16H23BrN2O/c1-11-7-8-14(12(2)9-11)18-10-16(20)19-15-6-4-3-5-13(15)17/h3-6,11-12,14,18H,7-10H2,1-2H3,(H,19,20)
InChIKeyQCBXHWMWHGDTDC-UHFFFAOYSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide
CID 63995689
N-(2-bromophenyl)-2-[(3-ethylcyclohexyl)amino]acetamide
CID 64743584
2-[(2-methylcyclopropyl)amino]-N-(2-methylphenyl)acetamide
CID 62398147
N-(2-bromophenyl)-2-[(2-cyclopropyloxolan-3-yl)amino]acetamide
CID 103580715
N-[2-[[(2,4-dimethylcyclohexyl)amino]methyl]phenyl]acetamide
CID 66418273
N-(2-bromophenyl)-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]acetamide
CID 65116145
N-(2-bromophenyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418229
N-(2-bromophenyl)-2-[[(1S,2R)-2-methylcyclohexyl]carbamothioylamino]acetamide
CID 8788475
N-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide
CID 43401788
N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930765
N-(2-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide
CID 65120471
trans-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 9230463

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide (CID 63994904) is N-(2-bromophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide is CC1CCC(NCC(=O)Nc2ccccc2Br)C(C)C1.
What is the InChIKey of N-(2-bromophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide?
The InChIKey is QCBXHWMWHGDTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-11-7-8-14(12(2)9-11)18-10-16(20)19-15-6-4-3-5-13(15)17/h3-6,11-12,14,18H,7-10H2,1-2H3,(H,19,20).
What are the key properties of N-(2-bromophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide?
N-(2-bromophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide has a molecular weight of 339.28 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide is sourced from PubChem (CID 63994904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).