2-amino-2-cyclopropyl-N-(2,4,5-trichlorophenyl)propanamide

C12H13Cl3N2O — CID 60867137

IUPAC2-amino-2-cyclopropyl-N-(2,4,5-trichlorophenyl)propanamide
SMILESCC(N)(C(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CC1
InChIInChI=1S/C12H13Cl3N2O/c1-12(16,6-2-3-6)11(18)17-10-5-8(14)7(13)4-9(10)15/h4-6H,2-3,16H2,1H3,(H,17,18)
InChIKeyBBIIXLJYSMKKTK-UHFFFAOYSA-N
MW307.61 g/mol
LogP3.71
Rot. Bonds3

About 2-amino-2-cyclopropyl-N-(2,4,5-trichlorophenyl)propanamide

2-amino-2-cyclopropyl-N-(2,4,5-trichlorophenyl)propanamide (PubChem CID 60867137) has the molecular formula C12H13Cl3N2O and a molecular weight of 307.61 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-(2,4,5-trichlorophenyl)propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-(2,4,5-trichlorophenyl)propanamide
PubChem CID60867137
Molecular FormulaC12H13Cl3N2O
Molecular Weight307.61 g/mol
Exact Mass306.01
IUPAC Name2-amino-2-cyclopropyl-N-(2,4,5-trichlorophenyl)propanamide
SMILESCC(N)(C(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CC1
InChIInChI=1S/C12H13Cl3N2O/c1-12(16,6-2-3-6)11(18)17-10-5-8(14)7(13)4-9(10)15/h4-6H,2-3,16H2,1H3,(H,17,18)
InChIKeyBBIIXLJYSMKKTK-UHFFFAOYSA-N
XLogP3.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.61
LogP ≤ 53.71
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-amino-N-(5-bromo-2-chlorophenyl)-2-cyclopropylpropanamide
CID 62908062
3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide
CID 60866296
2-amino-N-(2-chloro-5-sulfamoylphenyl)-2-cyclopropylpropanamide
CID 60867729
2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide
CID 54925136
2-amino-2-ethyl-N-(2,4,5-trichlorophenyl)butanamide
CID 79809131
2-amino-2-cyclopropyl-N-(2,4-dimethylphenyl)propanamide
CID 60868406
N-(4-acetamidophenyl)-2-amino-2-cyclopropylpropanamide
CID 60866095
2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide
CID 60866775
2-amino-2-cyclopropyl-N-(2,3-dimethylphenyl)propanamide
CID 54924935
methyl 4-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbenzoate
CID 60867367
2-amino-2-cyclopropyl-N-(4-propan-2-ylphenyl)propanamide
CID 60866090
2-amino-2-cyclopropyl-N-[2-[(dimethylamino)methyl]phenyl]propanamide
CID 60865925

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-(2,4,5-trichlorophenyl)propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-(2,4,5-trichlorophenyl)propanamide (CID 60867137) is 2-amino-2-cyclopropyl-N-(2,4,5-trichlorophenyl)propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-(2,4,5-trichlorophenyl)propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-(2,4,5-trichlorophenyl)propanamide is CC(N)(C(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-N-(2,4,5-trichlorophenyl)propanamide?
The InChIKey is BBIIXLJYSMKKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl3N2O/c1-12(16,6-2-3-6)11(18)17-10-5-8(14)7(13)4-9(10)15/h4-6H,2-3,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-2-cyclopropyl-N-(2,4,5-trichlorophenyl)propanamide?
2-amino-2-cyclopropyl-N-(2,4,5-trichlorophenyl)propanamide has a molecular weight of 307.61 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-(2,4,5-trichlorophenyl)propanamide is sourced from PubChem (CID 60867137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).