2-(1-aminocyclohexyl)-N-(2-bromo-4-cyanophenyl)acetamide

C15H18BrN3O — CID 64685034

IUPAC2-(1-aminocyclohexyl)-N-(2-bromo-4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CC2(N)CCCCC2)c(Br)c1
InChIInChI=1S/C15H18BrN3O/c16-12-8-11(10-17)4-5-13(12)19-14(20)9-15(18)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9,18H2,(H,19,20)
InChIKeyBFJHNZOYUAEEAE-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.31
Rot. Bonds3

About 2-(1-aminocyclohexyl)-N-(2-bromo-4-cyanophenyl)acetamide

2-(1-aminocyclohexyl)-N-(2-bromo-4-cyanophenyl)acetamide (PubChem CID 64685034) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-(2-bromo-4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-(2-bromo-4-cyanophenyl)acetamide
PubChem CID64685034
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-(1-aminocyclohexyl)-N-(2-bromo-4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CC2(N)CCCCC2)c(Br)c1
InChIInChI=1S/C15H18BrN3O/c16-12-8-11(10-17)4-5-13(12)19-14(20)9-15(18)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9,18H2,(H,19,20)
InChIKeyBFJHNZOYUAEEAE-UHFFFAOYSA-N
XLogP3.31
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-(5-cyano-2-methylphenyl)acetamide
CID 64679673
2-(1-aminocyclopentyl)-N-(4-bromo-2-cyanophenyl)acetamide
CID 82708203
N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
CID 107790761
2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide
CID 79851880
2-(1-aminocyclohexyl)-N-(5-chloro-2-cyanophenyl)acetamide
CID 64684415
N-(2-bromo-4-cyanophenyl)-3-(propan-2-ylamino)propanamide
CID 60852002
2-(1-aminocyclohexyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 64684065
ethyl 4-(2-bromo-4-cyanoanilino)-4-oxobutanoate
CID 63118915
ethyl 4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-bromobenzoate
CID 79843321
N-(2-bromo-4-cyanophenyl)-4-hydroxybutanamide
CID 79200804
2-(1-aminocyclopentyl)-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 64686030
3-bromo-4-[[1-(hydroxymethyl)cyclohexyl]amino]benzonitrile
CID 82810399

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-(2-bromo-4-cyanophenyl)acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-(2-bromo-4-cyanophenyl)acetamide (CID 64685034) is 2-(1-aminocyclohexyl)-N-(2-bromo-4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-(2-bromo-4-cyanophenyl)acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-(2-bromo-4-cyanophenyl)acetamide is N#Cc1ccc(NC(=O)CC2(N)CCCCC2)c(Br)c1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-(2-bromo-4-cyanophenyl)acetamide?
The InChIKey is BFJHNZOYUAEEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c16-12-8-11(10-17)4-5-13(12)19-14(20)9-15(18)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9,18H2,(H,19,20).
What are the key properties of 2-(1-aminocyclohexyl)-N-(2-bromo-4-cyanophenyl)acetamide?
2-(1-aminocyclohexyl)-N-(2-bromo-4-cyanophenyl)acetamide has a molecular weight of 336.23 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-(2-bromo-4-cyanophenyl)acetamide is sourced from PubChem (CID 64685034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).