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

C14H16BrN3O — CID 82708203

IUPAC2-(1-aminocyclopentyl)-N-(4-bromo-2-cyanophenyl)acetamide
SMILESN#Cc1cc(Br)ccc1NC(=O)CC1(N)CCCC1
InChIInChI=1S/C14H16BrN3O/c15-11-3-4-12(10(7-11)9-16)18-13(19)8-14(17)5-1-2-6-14/h3-4,7H,1-2,5-6,8,17H2,(H,18,19)
InChIKeyWVECSORBNGNARF-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.92
Rot. Bonds3

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

2-(1-aminocyclopentyl)-N-(4-bromo-2-cyanophenyl)acetamide (PubChem CID 82708203) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-N-(4-bromo-2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-N-(4-bromo-2-cyanophenyl)acetamide
PubChem CID82708203
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name2-(1-aminocyclopentyl)-N-(4-bromo-2-cyanophenyl)acetamide
SMILESN#Cc1cc(Br)ccc1NC(=O)CC1(N)CCCC1
InChIInChI=1S/C14H16BrN3O/c15-11-3-4-12(10(7-11)9-16)18-13(19)8-14(17)5-1-2-6-14/h3-4,7H,1-2,5-6,8,17H2,(H,18,19)
InChIKeyWVECSORBNGNARF-UHFFFAOYSA-N
XLogP2.92
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclohexyl)-N-(2-bromo-4-cyanophenyl)acetamide
CID 64685034
2-(1-aminocyclohexyl)-N-(5-chloro-2-cyanophenyl)acetamide
CID 64684415
1-(aminomethyl)-N-(4-bromo-2-cyanophenyl)cyclobutane-1-carboxamide
CID 82708785
1-[2-(5-bromo-2-cyanoanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 107797184
(4-bromo-2-cyanophenyl)urea
CID 82708837
2-[1-(aminomethyl)cyclobutyl]-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798155
2-(1-aminocyclopentyl)-N-(5-cyano-2-methylphenyl)acetamide
CID 64679673
N-(4-bromo-2-cyanophenyl)-4-(methylamino)butanamide
CID 82707852
3-amino-N-(4-bromo-2-cyanophenyl)-3-cyclopropylpropanamide
CID 82708527
N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide
CID 82707862
4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbutanamide
CID 82708856
2-(1-aminocyclopentyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 64684559

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-N-(4-bromo-2-cyanophenyl)acetamide?
The IUPAC name of 2-(1-aminocyclopentyl)-N-(4-bromo-2-cyanophenyl)acetamide (CID 82708203) is 2-(1-aminocyclopentyl)-N-(4-bromo-2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclopentyl)-N-(4-bromo-2-cyanophenyl)acetamide?
The canonical SMILES for 2-(1-aminocyclopentyl)-N-(4-bromo-2-cyanophenyl)acetamide is N#Cc1cc(Br)ccc1NC(=O)CC1(N)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-N-(4-bromo-2-cyanophenyl)acetamide?
The InChIKey is WVECSORBNGNARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c15-11-3-4-12(10(7-11)9-16)18-13(19)8-14(17)5-1-2-6-14/h3-4,7H,1-2,5-6,8,17H2,(H,18,19).
What are the key properties of 2-(1-aminocyclopentyl)-N-(4-bromo-2-cyanophenyl)acetamide?
2-(1-aminocyclopentyl)-N-(4-bromo-2-cyanophenyl)acetamide has a molecular weight of 322.21 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-N-(4-bromo-2-cyanophenyl)acetamide is sourced from PubChem (CID 82708203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).