2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide

C14H17Cl3N2O — CID 64685123

IUPAC2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide
SMILESNC1(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCCCC1
InChIInChI=1S/C14H17Cl3N2O/c15-9-6-11(17)12(7-10(9)16)19-13(20)8-14(18)4-2-1-3-5-14/h6-7H,1-5,8,18H2,(H,19,20)
InChIKeyNKOKBCRTCHXFNC-UHFFFAOYSA-N
MW335.66 g/mol
LogP4.64
Rot. Bonds3

About 2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide

2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 64685123) has the molecular formula C14H17Cl3N2O and a molecular weight of 335.66 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID64685123
Molecular FormulaC14H17Cl3N2O
Molecular Weight335.66 g/mol
Exact Mass334.04
IUPAC Name2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide
SMILESNC1(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCCCC1
InChIInChI=1S/C14H17Cl3N2O/c15-9-6-11(17)12(7-10(9)16)19-13(20)8-14(18)4-2-1-3-5-14/h6-7H,1-5,8,18H2,(H,19,20)
InChIKeyNKOKBCRTCHXFNC-UHFFFAOYSA-N
XLogP4.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.66
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminocyclopentyl)-N-(2,5-dichlorophenyl)acetamide
CID 64683722
2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 79851100
1-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide
CID 29300214
2-(1-aminocyclopentyl)-N-(3-chloro-2-methylphenyl)acetamide
CID 64686310
2-(1-aminocyclohexyl)-N-(5-chloro-2-cyanophenyl)acetamide
CID 64684415
2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide
CID 107365940
2-(1-aminocyclopentyl)-N-(3-chlorophenyl)acetamide
CID 64685930
1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide
CID 81167511
2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide
CID 79853699
2-(1-aminocyclohexyl)-N-(4-fluoro-2-iodophenyl)acetamide
CID 79766274
2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide
CID 104727167
2-(1-aminocyclohexyl)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 64683924

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide (CID 64685123) is 2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide is NC1(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is NKOKBCRTCHXFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl3N2O/c15-9-6-11(17)12(7-10(9)16)19-13(20)8-14(18)4-2-1-3-5-14/h6-7H,1-5,8,18H2,(H,19,20).
What are the key properties of 2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide?
2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 335.66 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 64685123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).