1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide

C13H15Cl2FN2O — CID 107574452

IUPAC1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCCCC1
InChIInChI=1S/C13H15Cl2FN2O/c14-9-6-8(7-10(15)11(9)16)18-12(19)13(17)4-2-1-3-5-13/h6-7H,1-5,17H2,(H,18,19)
InChIKeyNGVCGOZXRHMEFO-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.73
Rot. Bonds2

About 1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide

1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 107574452) has the molecular formula C13H15Cl2FN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID107574452
Molecular FormulaC13H15Cl2FN2O
Molecular Weight305.18 g/mol
Exact Mass304.05
IUPAC Name1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCCCC1
InChIInChI=1S/C13H15Cl2FN2O/c14-9-6-8(7-10(15)11(9)16)18-12(19)13(17)4-2-1-3-5-13/h6-7H,1-5,17H2,(H,18,19)
InChIKeyNGVCGOZXRHMEFO-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide
CID 107574361
1-amino-N-(3,5-difluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119275249
1-amino-N-(2,6-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 83079201
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide
CID 81179055
1-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide
CID 29300214
N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119276950
1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide
CID 43348137
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
1-amino-N-(2-chloro-4,6-difluorophenyl)cyclopentane-1-carboxamide
CID 83087463
1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide
CID 55131672
1-amino-N-(2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxamide
CID 107641668

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide (CID 107574452) is 1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide is NC1(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCCCC1.
What is the InChIKey of 1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is NGVCGOZXRHMEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2FN2O/c14-9-6-8(7-10(15)11(9)16)18-12(19)13(17)4-2-1-3-5-13/h6-7H,1-5,17H2,(H,18,19).
What are the key properties of 1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide?
1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 305.18 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107574452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).