1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide

C11H11Cl3N2O — CID 81167511

IUPAC1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCC1
InChIInChI=1S/C11H11Cl3N2O/c12-6-4-8(14)9(5-7(6)13)16-10(17)11(15)2-1-3-11/h4-5H,1-3,15H2,(H,16,17)
InChIKeySVAGAXAINOJVOO-UHFFFAOYSA-N
MW293.58 g/mol
LogP3.47
Rot. Bonds2

About 1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide

1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide (PubChem CID 81167511) has the molecular formula C11H11Cl3N2O and a molecular weight of 293.58 g/mol. Its IUPAC name is 1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide
PubChem CID81167511
Molecular FormulaC11H11Cl3N2O
Molecular Weight293.58 g/mol
Exact Mass291.99
IUPAC Name1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCC1
InChIInChI=1S/C11H11Cl3N2O/c12-6-4-8(14)9(5-7(6)13)16-10(17)11(15)2-1-3-11/h4-5H,1-3,15H2,(H,16,17)
InChIKeySVAGAXAINOJVOO-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.58
LogP ≤ 53.47
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

1-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide
CID 29300214
1-amino-N-(6-chloro-1,3-benzodioxol-5-yl)cyclohexane-1-carboxamide
CID 43703610
1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide
CID 55131672
1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide
CID 54925189
1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide
CID 107574361
1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide
CID 60867766
1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide
CID 62816762
1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 107574452
1-amino-N-(2,6-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 83079201
2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 64685123
N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119276950
2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid
CID 81171627

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide (CID 81167511) is 1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide is NC1(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCC1.
What is the InChIKey of 1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide?
The InChIKey is SVAGAXAINOJVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3N2O/c12-6-4-8(14)9(5-7(6)13)16-10(17)11(15)2-1-3-11/h4-5H,1-3,15H2,(H,16,17).
What are the key properties of 1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide?
1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide has a molecular weight of 293.58 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 81167511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).