N-(3-bromophenyl)-2-[(3,4-dimethylcyclohexyl)amino]acetamide

C16H23BrN2O — CID 64742087

IUPACN-(3-bromophenyl)-2-[(3,4-dimethylcyclohexyl)amino]acetamide
SMILESCC1CCC(NCC(=O)Nc2cccc(Br)c2)CC1C
InChIInChI=1S/C16H23BrN2O/c1-11-6-7-14(8-12(11)2)18-10-16(20)19-15-5-3-4-13(17)9-15/h3-5,9,11-12,14,18H,6-8,10H2,1-2H3,(H,19,20)
InChIKeyYYPOQIFPQLEMPS-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.80
Rot. Bonds4

About N-(3-bromophenyl)-2-[(3,4-dimethylcyclohexyl)amino]acetamide

N-(3-bromophenyl)-2-[(3,4-dimethylcyclohexyl)amino]acetamide (PubChem CID 64742087) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(3,4-dimethylcyclohexyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(3,4-dimethylcyclohexyl)amino]acetamide
PubChem CID64742087
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-(3-bromophenyl)-2-[(3,4-dimethylcyclohexyl)amino]acetamide
SMILESCC1CCC(NCC(=O)Nc2cccc(Br)c2)CC1C
InChIInChI=1S/C16H23BrN2O/c1-11-6-7-14(8-12(11)2)18-10-16(20)19-15-5-3-4-13(17)9-15/h3-5,9,11-12,14,18H,6-8,10H2,1-2H3,(H,19,20)
InChIKeyYYPOQIFPQLEMPS-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-(3-bromophenyl)-2-[(2,3-dimethylcyclopentyl)amino]acetamide
CID 64909334
N-(3-bromophenyl)-2-[(3-ethoxycyclobutyl)amino]acetamide
CID 103949779
N-(3-bromophenyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418146
N-[3-(carbamoylamino)phenyl]-2-(cyclopropylamino)acetamide
CID 60843404
2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide
CID 113158461
ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 61260799
N-(3-fluorophenyl)-2-[(3-methylcyclohexyl)amino]acetamide
CID 43317890
2-[(3-ethylcyclohexyl)amino]-N-(3-methylphenyl)acetamide
CID 64742409
2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide
CID 61274882
N-cyclopropyl-2-[(3,4-dimethylcyclohexyl)amino]acetamide
CID 64732207
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-bromophenyl)acetamide
CID 43082122

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(3,4-dimethylcyclohexyl)amino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[(3,4-dimethylcyclohexyl)amino]acetamide (CID 64742087) is N-(3-bromophenyl)-2-[(3,4-dimethylcyclohexyl)amino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(3,4-dimethylcyclohexyl)amino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(3,4-dimethylcyclohexyl)amino]acetamide is CC1CCC(NCC(=O)Nc2cccc(Br)c2)CC1C.
What is the InChIKey of N-(3-bromophenyl)-2-[(3,4-dimethylcyclohexyl)amino]acetamide?
The InChIKey is YYPOQIFPQLEMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-11-6-7-14(8-12(11)2)18-10-16(20)19-15-5-3-4-13(17)9-15/h3-5,9,11-12,14,18H,6-8,10H2,1-2H3,(H,19,20).
What are the key properties of N-(3-bromophenyl)-2-[(3,4-dimethylcyclohexyl)amino]acetamide?
N-(3-bromophenyl)-2-[(3,4-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-(3-bromophenyl)-2-[(3,4-dimethylcyclohexyl)amino]acetamide is sourced from PubChem (CID 64742087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).