N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide

C17H25FN2O — CID 62515468

IUPACN-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)N(CCCN)C2CCCCC2)c1
InChIInChI=1S/C17H25FN2O/c1-13-8-9-16(18)15(12-13)17(21)20(11-5-10-19)14-6-3-2-4-7-14/h8-9,12,14H,2-7,10-11,19H2,1H3
InChIKeyNJYACZOFQVFBNO-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.26
Rot. Bonds5

About N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide

N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide (PubChem CID 62515468) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide
PubChem CID62515468
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)N(CCCN)C2CCCCC2)c1
InChIInChI=1S/C17H25FN2O/c1-13-8-9-16(18)15(12-13)17(21)20(11-5-10-19)14-6-3-2-4-7-14/h8-9,12,14H,2-7,10-11,19H2,1H3
InChIKeyNJYACZOFQVFBNO-UHFFFAOYSA-N
XLogP3.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62510137
N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 43319379
N-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide
CID 80659303
N-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide
CID 62504725
N-cyclohexyl-2-fluoro-N,5-dimethylbenzamide
CID 62510377
N-(3-aminopropyl)-N-cyclopentyl-2-methylbenzamide
CID 43319365
N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82798367
N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide
CID 102873748
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide
CID 76945662
N-(3-aminopropyl)-N-cyclohexyl-2,6-dimethylpyridine-3-carboxamide
CID 62830761
N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide
CID 43319342
N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 63391286

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide (CID 62515468) is N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)N(CCCN)C2CCCCC2)c1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide?
The InChIKey is NJYACZOFQVFBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-13-8-9-16(18)15(12-13)17(21)20(11-5-10-19)14-6-3-2-4-7-14/h8-9,12,14H,2-7,10-11,19H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide?
N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide has a molecular weight of 292.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 62515468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).