2-(cyclohexylamino)-N-(2,4,5-trichlorophenyl)acetamide

C14H17Cl3N2O — CID 54815310

IUPAC2-(cyclohexylamino)-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(CNC1CCCCC1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H17Cl3N2O/c15-10-6-12(17)13(7-11(10)16)19-14(20)8-18-9-4-2-1-3-5-9/h6-7,9,18H,1-5,8H2,(H,19,20)
InChIKeyBBRRSEIVKFLXBN-UHFFFAOYSA-N
MW335.66 g/mol
LogP4.51
Rot. Bonds4

About 2-(cyclohexylamino)-N-(2,4,5-trichlorophenyl)acetamide

2-(cyclohexylamino)-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 54815310) has the molecular formula C14H17Cl3N2O and a molecular weight of 335.66 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID54815310
Molecular FormulaC14H17Cl3N2O
Molecular Weight335.66 g/mol
Exact Mass334.04
IUPAC Name2-(cyclohexylamino)-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(CNC1CCCCC1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H17Cl3N2O/c15-10-6-12(17)13(7-11(10)16)19-14(20)8-18-9-4-2-1-3-5-9/h6-7,9,18H,1-5,8H2,(H,19,20)
InChIKeyBBRRSEIVKFLXBN-UHFFFAOYSA-N
XLogP4.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.66
LogP ≤ 54.51
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-(cyclopentylamino)-N-(2,4-dichlorophenyl)acetamide
CID 9465920
N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60648529
N-(4-acetamido-3-chlorophenyl)-2-(cyclopentylamino)acetamide
CID 60720174
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(cyclooctylamino)acetamide
CID 9265560
N-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetamide
CID 81270958
N-(4-chlorophenyl)-2-(cyclohexylamino)acetamide
CID 788648
N-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetamide
CID 103843641
2-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 7825724
2,4,5-trichloro-N-cyclohexylaniline
CID 28553160
2-(cyclooctylamino)-N-(2,4-difluorophenyl)acetamide
CID 9265336
N-(3-chlorophenyl)-2-(cycloheptylamino)acetamide
CID 43236492
1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea
CID 4253311

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-(cyclohexylamino)-N-(2,4,5-trichlorophenyl)acetamide (CID 54815310) is 2-(cyclohexylamino)-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-(cyclohexylamino)-N-(2,4,5-trichlorophenyl)acetamide is O=C(CNC1CCCCC1)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(cyclohexylamino)-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is BBRRSEIVKFLXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl3N2O/c15-10-6-12(17)13(7-11(10)16)19-14(20)8-18-9-4-2-1-3-5-9/h6-7,9,18H,1-5,8H2,(H,19,20).
What are the key properties of 2-(cyclohexylamino)-N-(2,4,5-trichlorophenyl)acetamide?
2-(cyclohexylamino)-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 335.66 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 54815310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).