2-[cyclopropylmethyl(ethyl)amino]-N-(2,4,5-trichlorophenyl)acetamide

C14H17Cl3N2O — CID 86946248

IUPAC2-[cyclopropylmethyl(ethyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)CC1CC1
InChIInChI=1S/C14H17Cl3N2O/c1-2-19(7-9-3-4-9)8-14(20)18-13-6-11(16)10(15)5-12(13)17/h5-6,9H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyODXFYIZXXRIVPQ-UHFFFAOYSA-N
MW335.66 g/mol
LogP4.32
Rot. Bonds6

About 2-[cyclopropylmethyl(ethyl)amino]-N-(2,4,5-trichlorophenyl)acetamide

2-[cyclopropylmethyl(ethyl)amino]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 86946248) has the molecular formula C14H17Cl3N2O and a molecular weight of 335.66 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(ethyl)amino]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl(ethyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID86946248
Molecular FormulaC14H17Cl3N2O
Molecular Weight335.66 g/mol
Exact Mass334.04
IUPAC Name2-[cyclopropylmethyl(ethyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)CC1CC1
InChIInChI=1S/C14H17Cl3N2O/c1-2-19(7-9-3-4-9)8-14(20)18-13-6-11(16)10(15)5-12(13)17/h5-6,9H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyODXFYIZXXRIVPQ-UHFFFAOYSA-N
XLogP4.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.66
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955922
2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide
CID 86946251
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588026
N-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63957144
N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955371
N-(2,6-dichlorophenyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide;hydrochloride
CID 119929877
N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 78821176
N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide
CID 79703986
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide
CID 119929563
2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101383
N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63954898
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride
CID 119929562

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]-N-(2,4,5-trichlorophenyl)acetamide (CID 86946248) is 2-[cyclopropylmethyl(ethyl)amino]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[cyclopropylmethyl(ethyl)amino]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[cyclopropylmethyl(ethyl)amino]-N-(2,4,5-trichlorophenyl)acetamide is CCN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(ethyl)amino]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is ODXFYIZXXRIVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl3N2O/c1-2-19(7-9-3-4-9)8-14(20)18-13-6-11(16)10(15)5-12(13)17/h5-6,9H,2-4,7-8H2,1H3,(H,18,20).
What are the key properties of 2-[cyclopropylmethyl(ethyl)amino]-N-(2,4,5-trichlorophenyl)acetamide?
2-[cyclopropylmethyl(ethyl)amino]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 335.66 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(ethyl)amino]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 86946248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).