N-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide

C15H21FN2O — CID 81480735

IUPACN-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)C2CCC(N)CC2)c1F
InChIInChI=1S/C15H21FN2O/c1-10-4-3-5-13(14(10)16)15(19)18(2)12-8-6-11(17)7-9-12/h3-5,11-12H,6-9,17H2,1-2H3
InChIKeyZQSABDNDFLZKER-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.48
Rot. Bonds2

About N-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide

N-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide (PubChem CID 81480735) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide
PubChem CID81480735
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)C2CCC(N)CC2)c1F
InChIInChI=1S/C15H21FN2O/c1-10-4-3-5-13(14(10)16)15(19)18(2)12-8-6-11(17)7-9-12/h3-5,11-12H,6-9,17H2,1-2H3
InChIKeyZQSABDNDFLZKER-UHFFFAOYSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-cyclopropyl-N,3-dimethylbenzamide
CID 43264479
N-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide
CID 79121701
2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444296
N-(4-aminocyclohexyl)-N,3-dimethylbenzamide
CID 79121288
N-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 113252164
N-cyclopropyl-3-fluoro-2-hydrazinyl-N-methylbenzamide
CID 62662193
N-cyclopropyl-4-fluoro-N,2-dimethylbenzamide
CID 115745650
N-(4-aminocyclohexyl)-N,3-dimethylthiophene-2-carboxamide
CID 79120887
N-(4-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 103807666
N-cyclopropyl-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105380342
N-(4-aminocyclohexyl)-3,4-difluoro-N-methylbenzamide
CID 79121547
2-amino-N-cyclopropyl-3-fluoro-N-methylpyridine-4-carboxamide
CID 105384758

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide (CID 81480735) is N-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)C2CCC(N)CC2)c1F.
What is the InChIKey of N-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide?
The InChIKey is ZQSABDNDFLZKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10-4-3-5-13(14(10)16)15(19)18(2)12-8-6-11(17)7-9-12/h3-5,11-12H,6-9,17H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide?
N-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide has a molecular weight of 264.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide is sourced from PubChem (CID 81480735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).