4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide

C13H16ClFN2O — CID 54928815

IUPAC4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C13H16ClFN2O/c14-11-6-5-10(7-12(11)15)17-13(18)8-1-3-9(16)4-2-8/h5-9H,1-4,16H2,(H,17,18)
InChIKeyMSCJHCZGSCLPMK-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.94
Rot. Bonds2

About 4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide

4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 54928815) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID54928815
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C13H16ClFN2O/c14-11-6-5-10(7-12(11)15)17-13(18)8-1-3-9(16)4-2-8/h5-9H,1-4,16H2,(H,17,18)
InChIKeyMSCJHCZGSCLPMK-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide (CID 54928815) is 4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide is NC1CCC(C(=O)Nc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of 4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is MSCJHCZGSCLPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c14-11-6-5-10(7-12(11)15)17-13(18)8-1-3-9(16)4-2-8/h5-9H,1-4,16H2,(H,17,18).
What are the key properties of 4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide?
4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 270.73 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 54928815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).