N-cyclopropyl-2-[(2,3,6-trichlorophenyl)methylamino]acetamide

C12H13Cl3N2O — CID 43434263

IUPACN-cyclopropyl-2-[(2,3,6-trichlorophenyl)methylamino]acetamide
SMILESO=C(CNCc1c(Cl)ccc(Cl)c1Cl)NC1CC1
InChIInChI=1S/C12H13Cl3N2O/c13-9-3-4-10(14)12(15)8(9)5-16-6-11(18)17-7-1-2-7/h3-4,7,16H,1-2,5-6H2,(H,17,18)
InChIKeyPMVPODIFOUGBBJ-UHFFFAOYSA-N
MW307.61 g/mol
LogP3.02
Rot. Bonds5

About N-cyclopropyl-2-[(2,3,6-trichlorophenyl)methylamino]acetamide

N-cyclopropyl-2-[(2,3,6-trichlorophenyl)methylamino]acetamide (PubChem CID 43434263) has the molecular formula C12H13Cl3N2O and a molecular weight of 307.61 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2,3,6-trichlorophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2,3,6-trichlorophenyl)methylamino]acetamide
PubChem CID43434263
Molecular FormulaC12H13Cl3N2O
Molecular Weight307.61 g/mol
Exact Mass306.01
IUPAC NameN-cyclopropyl-2-[(2,3,6-trichlorophenyl)methylamino]acetamide
SMILESO=C(CNCc1c(Cl)ccc(Cl)c1Cl)NC1CC1
InChIInChI=1S/C12H13Cl3N2O/c13-9-3-4-10(14)12(15)8(9)5-16-6-11(18)17-7-1-2-7/h3-4,7,16H,1-2,5-6H2,(H,17,18)
InChIKeyPMVPODIFOUGBBJ-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.61
LogP ≤ 53.02
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-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide
CID 106862345
2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide
CID 103581537
N-cyclopropyl-2-(2,6-dichlorophenyl)acetamide
CID 2682749
N-cyclopropyl-2-[(4-iodophenyl)methylamino]acetamide
CID 65477363
2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide
CID 113461466
1-cyclohexyl-N-[(2,3,6-trichlorophenyl)methyl]methanamine
CID 43234592
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine
CID 66525054
1-[4-[(2,3,6-trichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43234694
2-[(4-chlorophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099718
2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide
CID 62537472
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
N-cyclopropyl-2-[(2,3-dichlorophenyl)carbamoylamino]acetamide
CID 47133418

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2,3,6-trichlorophenyl)methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2,3,6-trichlorophenyl)methylamino]acetamide (CID 43434263) is N-cyclopropyl-2-[(2,3,6-trichlorophenyl)methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2,3,6-trichlorophenyl)methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2,3,6-trichlorophenyl)methylamino]acetamide is O=C(CNCc1c(Cl)ccc(Cl)c1Cl)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(2,3,6-trichlorophenyl)methylamino]acetamide?
The InChIKey is PMVPODIFOUGBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl3N2O/c13-9-3-4-10(14)12(15)8(9)5-16-6-11(18)17-7-1-2-7/h3-4,7,16H,1-2,5-6H2,(H,17,18).
What are the key properties of N-cyclopropyl-2-[(2,3,6-trichlorophenyl)methylamino]acetamide?
N-cyclopropyl-2-[(2,3,6-trichlorophenyl)methylamino]acetamide has a molecular weight of 307.61 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2,3,6-trichlorophenyl)methylamino]acetamide is sourced from PubChem (CID 43434263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).