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

C13H15Cl3N2O — CID 64817565

IUPAC2-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl3N2O/c14-8-5-10(16)12(6-9(8)15)18-13(19)7-3-1-2-4-11(7)17/h5-7,11H,1-4,17H2,(H,18,19)
InChIKeyRBLBDHDESCWLLM-UHFFFAOYSA-N
MW321.64 g/mol
LogP4.10
Rot. Bonds2

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

2-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide (PubChem CID 64817565) has the molecular formula C13H15Cl3N2O and a molecular weight of 321.64 g/mol. Its IUPAC name is 2-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide
PubChem CID64817565
Molecular FormulaC13H15Cl3N2O
Molecular Weight321.64 g/mol
Exact Mass320.02
IUPAC Name2-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl3N2O/c14-8-5-10(16)12(6-9(8)15)18-13(19)7-3-1-2-4-11(7)17/h5-7,11H,1-4,17H2,(H,18,19)
InChIKeyRBLBDHDESCWLLM-UHFFFAOYSA-N
XLogP4.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.64
LogP ≤ 54.10
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-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide
CID 64822911
2-amino-N-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 64817381
2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64822915
2-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide
CID 107574334
2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide
CID 64822363
2-amino-N-(3-chloro-4-hydroxyphenyl)cycloheptane-1-carboxamide
CID 107679949
2-amino-N-(2-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64852235
5-[(2-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide
CID 64823543
2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64824097
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid
CID 64823038
3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
CID 64823949

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide (CID 64817565) is 2-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide is NC1CCCCC1C(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide?
The InChIKey is RBLBDHDESCWLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl3N2O/c14-8-5-10(16)12(6-9(8)15)18-13(19)7-3-1-2-4-11(7)17/h5-7,11H,1-4,17H2,(H,18,19).
What are the key properties of 2-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide?
2-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide has a molecular weight of 321.64 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64817565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).