N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide

C15H21BrN2O — CID 108993617

IUPACN-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide
SMILESCc1ccc(NC(=O)CNC2CCCCC2)cc1Br
InChIInChI=1S/C15H21BrN2O/c1-11-7-8-13(9-14(11)16)18-15(19)10-17-12-5-3-2-4-6-12/h7-9,12,17H,2-6,10H2,1H3,(H,18,19)
InChIKeyRNEVXRFGIOLFAT-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.62
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide

N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide (PubChem CID 108993617) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide
PubChem CID108993617
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide
SMILESCc1ccc(NC(=O)CNC2CCCCC2)cc1Br
InChIInChI=1S/C15H21BrN2O/c1-11-7-8-13(9-14(11)16)18-15(19)10-17-12-5-3-2-4-6-12/h7-9,12,17H,2-6,10H2,1H3,(H,18,19)
InChIKeyRNEVXRFGIOLFAT-UHFFFAOYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide
CID 109013707
ethyl 4-[[2-(3-bromo-4-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003641
N-(3-acetamido-4-methylphenyl)-2-(cyclopentylamino)acetamide
CID 60851393
N-[(Z)-(3-bromo-4-methylphenyl)methylideneamino]-2-(cyclohexylamino)acetamide
CID 126381594
2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide
CID 63333682
4-[[2-(cyclohexylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 1442013
2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 4790618
3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide
CID 109013519
[2-(3-bromo-4-methylanilino)-2-oxoethyl]-(cyclohexylmethyl)azanium
CID 7450757
2-(cyclooctylamino)-N-(3,4-difluorophenyl)acetamide
CID 9265327
N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583157
N-(4-chlorophenyl)-2-(cyclohexylamino)acetamide
CID 788648

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide (CID 108993617) is N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide is Cc1ccc(NC(=O)CNC2CCCCC2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide?
The InChIKey is RNEVXRFGIOLFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-7-8-13(9-14(11)16)18-15(19)10-17-12-5-3-2-4-6-12/h7-9,12,17H,2-6,10H2,1H3,(H,18,19).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide?
N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide has a molecular weight of 325.25 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide is sourced from PubChem (CID 108993617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).