2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide

C14H17ClF2N2O2 — CID 64822097

IUPAC2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C14H17ClF2N2O2/c15-10-7-8(5-6-12(10)21-14(16)17)19-13(20)9-3-1-2-4-11(9)18/h5-7,9,11,14H,1-4,18H2,(H,19,20)
InChIKeyHBKJUANTHIOPLD-UHFFFAOYSA-N
MW318.75 g/mol
LogP3.40
Rot. Bonds4

About 2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide

2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide (PubChem CID 64822097) has the molecular formula C14H17ClF2N2O2 and a molecular weight of 318.75 g/mol. Its IUPAC name is 2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide
PubChem CID64822097
Molecular FormulaC14H17ClF2N2O2
Molecular Weight318.75 g/mol
Exact Mass318.09
IUPAC Name2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C14H17ClF2N2O2/c15-10-7-8(5-6-12(10)21-14(16)17)19-13(20)9-3-1-2-4-11(9)18/h5-7,9,11,14H,1-4,18H2,(H,19,20)
InChIKeyHBKJUANTHIOPLD-UHFFFAOYSA-N
XLogP3.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.75
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-3-carboxamide
CID 66235659
2-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide
CID 64823768
2-amino-N-(3-chloro-4-ethoxyphenyl)cyclopentane-1-carboxamide
CID 64823769
2-amino-N-(3-chloro-4-hydroxyphenyl)cycloheptane-1-carboxamide
CID 107679949
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea
CID 17269947
N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 61260908
2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64822720
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119676762
2-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide
CID 107574334
2-[[4-chloro-3-(difluoromethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120977324
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
5-[(2-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide
CID 64823543

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide (CID 64822097) is 2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide is NC1CCCCC1C(=O)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide?
The InChIKey is HBKJUANTHIOPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N2O2/c15-10-7-8(5-6-12(10)21-14(16)17)19-13(20)9-3-1-2-4-11(9)18/h5-7,9,11,14H,1-4,18H2,(H,19,20).
What are the key properties of 2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide?
2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide has a molecular weight of 318.75 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64822097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).