N-(2-amino-1-cyclopropylethyl)-5-fluoro-N,2-dimethylbenzamide

C14H19FN2O — CID 116651780

IUPACN-(2-amino-1-cyclopropylethyl)-5-fluoro-N,2-dimethylbenzamide
SMILESCc1ccc(F)cc1C(=O)N(C)C(CN)C1CC1
InChIInChI=1S/C14H19FN2O/c1-9-3-6-11(15)7-12(9)14(18)17(2)13(8-16)10-4-5-10/h3,6-7,10,13H,4-5,8,16H2,1-2H3
InChIKeyIWBHCLWGFSSHEN-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.94
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-5-fluoro-N,2-dimethylbenzamide

N-(2-amino-1-cyclopropylethyl)-5-fluoro-N,2-dimethylbenzamide (PubChem CID 116651780) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-5-fluoro-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-5-fluoro-N,2-dimethylbenzamide
PubChem CID116651780
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-5-fluoro-N,2-dimethylbenzamide
SMILESCc1ccc(F)cc1C(=O)N(C)C(CN)C1CC1
InChIInChI=1S/C14H19FN2O/c1-9-3-6-11(15)7-12(9)14(18)17(2)13(8-16)10-4-5-10/h3,6-7,10,13H,4-5,8,16H2,1-2H3
InChIKeyIWBHCLWGFSSHEN-UHFFFAOYSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 116652032
N-(2-amino-1-cyclopropylethyl)-2-chloro-N-methyl-5-methylsulfanylbenzamide
CID 116651955
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-iodo-N-methylbenzamide
CID 114030464
N-(2-amino-1-cyclopropylethyl)-4-fluoro-N,2-dimethylbenzenesulfonamide
CID 116652221
N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide
CID 116651907
N-(1-cyanopropan-2-yl)-5-fluoro-N,2-dimethylbenzamide
CID 63224589
5-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102635118
5-amino-N-(dicyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120628690
N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide
CID 116651988
N-(2-amino-1-cyclopropylethyl)-N,5-dimethylpyridine-3-carboxamide
CID 116652008
5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
CID 60706402
N-(2-amino-1-cyclopropylethyl)-N-methylquinoline-4-carboxamide
CID 116651974

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-fluoro-N,2-dimethylbenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-fluoro-N,2-dimethylbenzamide (CID 116651780) is N-(2-amino-1-cyclopropylethyl)-5-fluoro-N,2-dimethylbenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-5-fluoro-N,2-dimethylbenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-5-fluoro-N,2-dimethylbenzamide is Cc1ccc(F)cc1C(=O)N(C)C(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-5-fluoro-N,2-dimethylbenzamide?
The InChIKey is IWBHCLWGFSSHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-3-6-11(15)7-12(9)14(18)17(2)13(8-16)10-4-5-10/h3,6-7,10,13H,4-5,8,16H2,1-2H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-5-fluoro-N,2-dimethylbenzamide?
N-(2-amino-1-cyclopropylethyl)-5-fluoro-N,2-dimethylbenzamide has a molecular weight of 250.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-5-fluoro-N,2-dimethylbenzamide is sourced from PubChem (CID 116651780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).