2-[1-(aminomethyl)cyclobutyl]-N-(5-bromo-2-cyanophenyl)acetamide

C14H16BrN3O — CID 107798155

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(5-bromo-2-cyanophenyl)acetamide
SMILESN#Cc1ccc(Br)cc1NC(=O)CC1(CN)CCC1
InChIInChI=1S/C14H16BrN3O/c15-11-3-2-10(8-16)12(6-11)18-13(19)7-14(9-17)4-1-5-14/h2-3,6H,1,4-5,7,9,17H2,(H,18,19)
InChIKeyZOBFUUMWUCIKER-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.78
Rot. Bonds4

About 2-[1-(aminomethyl)cyclobutyl]-N-(5-bromo-2-cyanophenyl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(5-bromo-2-cyanophenyl)acetamide (PubChem CID 107798155) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(5-bromo-2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(5-bromo-2-cyanophenyl)acetamide
PubChem CID107798155
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(5-bromo-2-cyanophenyl)acetamide
SMILESN#Cc1ccc(Br)cc1NC(=O)CC1(CN)CCC1
InChIInChI=1S/C14H16BrN3O/c15-11-3-2-10(8-16)12(6-11)18-13(19)7-14(9-17)4-1-5-14/h2-3,6H,1,4-5,7,9,17H2,(H,18,19)
InChIKeyZOBFUUMWUCIKER-UHFFFAOYSA-N
XLogP2.78
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(5-bromo-2-cyanophenyl)cyclobutane-1-carboxamide
CID 107798245
1-[2-(5-bromo-2-cyanoanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 107797184
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
2-(1-aminocyclopentyl)-N-(4-bromo-2-cyanophenyl)acetamide
CID 82708203
2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798290
N-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide
CID 104880211
2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798189
N-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide
CID 104880413
1-(aminomethyl)-N-(4-bromo-2-cyanophenyl)cyclobutane-1-carboxamide
CID 82708785
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide
CID 104880341
1-[(5-bromo-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 107800299
N-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide
CID 104880239

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(5-bromo-2-cyanophenyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(5-bromo-2-cyanophenyl)acetamide (CID 107798155) is 2-[1-(aminomethyl)cyclobutyl]-N-(5-bromo-2-cyanophenyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(5-bromo-2-cyanophenyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(5-bromo-2-cyanophenyl)acetamide is N#Cc1ccc(Br)cc1NC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(5-bromo-2-cyanophenyl)acetamide?
The InChIKey is ZOBFUUMWUCIKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c15-11-3-2-10(8-16)12(6-11)18-13(19)7-14(9-17)4-1-5-14/h2-3,6H,1,4-5,7,9,17H2,(H,18,19).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(5-bromo-2-cyanophenyl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(5-bromo-2-cyanophenyl)acetamide has a molecular weight of 322.21 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(5-bromo-2-cyanophenyl)acetamide is sourced from PubChem (CID 107798155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).