2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide

C15H22FN3O — CID 115309592

IUPAC2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide
SMILESNCC(Nc1cccc(F)c1C(N)=O)C1CCCCC1
InChIInChI=1S/C15H22FN3O/c16-11-7-4-8-12(14(11)15(18)20)19-13(9-17)10-5-2-1-3-6-10/h4,7-8,10,13,19H,1-3,5-6,9,17H2,(H2,18,20)
InChIKeyZQFVBSNECBMDII-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.24
Rot. Bonds5

About 2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide

2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide (PubChem CID 115309592) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide.

Molecular Properties

Compound Name2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide
PubChem CID115309592
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide
SMILESNCC(Nc1cccc(F)c1C(N)=O)C1CCCCC1
InChIInChI=1S/C15H22FN3O/c16-11-7-4-8-12(14(11)15(18)20)19-13(9-17)10-5-2-1-3-6-10/h4,7-8,10,13,19H,1-3,5-6,9,17H2,(H2,18,20)
InChIKeyZQFVBSNECBMDII-UHFFFAOYSA-N
XLogP2.24
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377112
N-(2-amino-1-cyclohexylethyl)-2-fluoro-6-iodobenzamide;hydrochloride
CID 119592223
1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 106738164
2-(1-aminopentan-2-ylamino)-6-fluorobenzamide
CID 79522229
1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine
CID 55068971
N-(2-amino-1-cyclohexylethyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 119590223
N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine
CID 65385964
N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide
CID 81487271
1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine
CID 106738241
2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid
CID 114880085
4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide
CID 106738233
1-cyclopentyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107303892

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide?
The IUPAC name of 2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide (CID 115309592) is 2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide.
What is the SMILES notation for 2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide?
The canonical SMILES for 2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide is NCC(Nc1cccc(F)c1C(N)=O)C1CCCCC1.
What is the InChIKey of 2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide?
The InChIKey is ZQFVBSNECBMDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c16-11-7-4-8-12(14(11)15(18)20)19-13(9-17)10-5-2-1-3-6-10/h4,7-8,10,13,19H,1-3,5-6,9,17H2,(H2,18,20).
What are the key properties of 2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide?
2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide has a molecular weight of 279.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide is sourced from PubChem (CID 115309592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).