methyl 3-amino-5-chloro-4-(cyclohexylamino)benzoate

C14H19ClN2O2 — CID 56773060

IUPACmethyl 3-amino-5-chloro-4-(cyclohexylamino)benzoate
SMILESCOC(=O)c1cc(N)c(NC2CCCCC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-19-14(18)9-7-11(15)13(12(16)8-9)17-10-5-3-2-4-6-10/h7-8,10,17H,2-6,16H2,1H3
InChIKeyFGPOSRJTZGPOHR-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.45
Rot. Bonds3

About methyl 3-amino-5-chloro-4-(cyclohexylamino)benzoate

methyl 3-amino-5-chloro-4-(cyclohexylamino)benzoate (PubChem CID 56773060) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is methyl 3-amino-5-chloro-4-(cyclohexylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-amino-5-chloro-4-(cyclohexylamino)benzoate
PubChem CID56773060
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Namemethyl 3-amino-5-chloro-4-(cyclohexylamino)benzoate
SMILESCOC(=O)c1cc(N)c(NC2CCCCC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-19-14(18)9-7-11(15)13(12(16)8-9)17-10-5-3-2-4-6-10/h7-8,10,17H,2-6,16H2,1H3
InChIKeyFGPOSRJTZGPOHR-UHFFFAOYSA-N
XLogP3.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-chloro-4-(cyclohexylamino)benzamide
CID 56773062
methyl 3-chloro-4-(cyclobutylamino)-5-methoxybenzoate
CID 123475225
methyl 3-chloro-2-(cyclohexylamino)benzoate
CID 643290
2-chloro-1-N-cyclohexyl-6-methoxybenzene-1,4-diamine
CID 50879419
5-amino-3-chloro-2-(cycloheptylamino)benzamide
CID 107193767
methyl 2-amino-5-(cycloheptylamino)benzoate
CID 61305877
3-amino-4,5-dichloro-N-cyclooctylbenzamide
CID 61090105
methyl 2-chloro-5-(cyclopentylamino)benzoate
CID 43672677
methyl 2-amino-4-bromo-5-(cyclohexylamino)benzoate
CID 114278245
lithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide
CID 158093078
methyl 3-amino-5-methoxy-4-(methylamino)benzoate
CID 129205768
methyl 3,5-dibromo-2-(cyclooctylamino)benzoate
CID 63451936

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-chloro-4-(cyclohexylamino)benzoate?
The IUPAC name of methyl 3-amino-5-chloro-4-(cyclohexylamino)benzoate (CID 56773060) is methyl 3-amino-5-chloro-4-(cyclohexylamino)benzoate.
What is the SMILES notation for methyl 3-amino-5-chloro-4-(cyclohexylamino)benzoate?
The canonical SMILES for methyl 3-amino-5-chloro-4-(cyclohexylamino)benzoate is COC(=O)c1cc(N)c(NC2CCCCC2)c(Cl)c1.
What is the InChIKey of methyl 3-amino-5-chloro-4-(cyclohexylamino)benzoate?
The InChIKey is FGPOSRJTZGPOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-19-14(18)9-7-11(15)13(12(16)8-9)17-10-5-3-2-4-6-10/h7-8,10,17H,2-6,16H2,1H3.
What are the key properties of methyl 3-amino-5-chloro-4-(cyclohexylamino)benzoate?
methyl 3-amino-5-chloro-4-(cyclohexylamino)benzoate has a molecular weight of 282.77 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-chloro-4-(cyclohexylamino)benzoate is sourced from PubChem (CID 56773060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).