2-(1-aminocyclohexyl)-N-(5-chloro-2-cyanophenyl)acetamide

C15H18ClN3O — CID 64684415

IUPAC2-(1-aminocyclohexyl)-N-(5-chloro-2-cyanophenyl)acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CC1(N)CCCCC1
InChIInChI=1S/C15H18ClN3O/c16-12-5-4-11(10-17)13(8-12)19-14(20)9-15(18)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9,18H2,(H,19,20)
InChIKeyQWXHVFSJXQZBHR-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.20
Rot. Bonds3

About 2-(1-aminocyclohexyl)-N-(5-chloro-2-cyanophenyl)acetamide

2-(1-aminocyclohexyl)-N-(5-chloro-2-cyanophenyl)acetamide (PubChem CID 64684415) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-(5-chloro-2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-(5-chloro-2-cyanophenyl)acetamide
PubChem CID64684415
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-(1-aminocyclohexyl)-N-(5-chloro-2-cyanophenyl)acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CC1(N)CCCCC1
InChIInChI=1S/C15H18ClN3O/c16-12-5-4-11(10-17)13(8-12)19-14(20)9-15(18)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9,18H2,(H,19,20)
InChIKeyQWXHVFSJXQZBHR-UHFFFAOYSA-N
XLogP3.20
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-(2,5-dichlorophenyl)acetamide
CID 64683722
1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide
CID 115434808
2-(1-aminocyclopentyl)-N-(4-bromo-2-cyanophenyl)acetamide
CID 82708203
2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 64685123
N-(5-chloro-2-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 3625247
2-(1-aminocyclohexyl)-N-(2-bromo-4-cyanophenyl)acetamide
CID 64685034
N-(5-chloro-2-cyanophenyl)-3-(propan-2-ylamino)propanamide
CID 54920661
2-(1-aminocyclopentyl)-N-(3-chlorophenyl)acetamide
CID 64685930
1-(5-chloro-2-cyanoanilino)cycloheptane-1-carboxylic acid
CID 63082412
2-(1-aminocyclopentyl)-N-(5-cyano-2-methylphenyl)acetamide
CID 64679673
N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide
CID 54917775
2-[1-(5-chloro-2-cyanoanilino)cyclobutyl]acetic acid
CID 79846241

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-(5-chloro-2-cyanophenyl)acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-(5-chloro-2-cyanophenyl)acetamide (CID 64684415) is 2-(1-aminocyclohexyl)-N-(5-chloro-2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-(5-chloro-2-cyanophenyl)acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-(5-chloro-2-cyanophenyl)acetamide is N#Cc1ccc(Cl)cc1NC(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-(5-chloro-2-cyanophenyl)acetamide?
The InChIKey is QWXHVFSJXQZBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-12-5-4-11(10-17)13(8-12)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-(5-chloro-2-cyanophenyl)acetamide?
2-(1-aminocyclohexyl)-N-(5-chloro-2-cyanophenyl)acetamide has a molecular weight of 291.78 g/mol, XLogP of 3.20, 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-(5-chloro-2-cyanophenyl)acetamide is sourced from PubChem (CID 64684415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).