N-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide

C14H19FN2O — CID 62856801

IUPACN-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)N(C)CC1CCC1
InChIInChI=1S/C14H19FN2O/c1-16-13-11(7-4-8-12(13)15)14(18)17(2)9-10-5-3-6-10/h4,7-8,10,16H,3,5-6,9H2,1-2H3
InChIKeyMTZSQDZQNCHAOX-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.74
Rot. Bonds4

About N-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide

N-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide (PubChem CID 62856801) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide
PubChem CID62856801
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)N(C)CC1CCC1
InChIInChI=1S/C14H19FN2O/c1-16-13-11(7-4-8-12(13)15)14(18)17(2)9-10-5-3-6-10/h4,7-8,10,16H,3,5-6,9H2,1-2H3
InChIKeyMTZSQDZQNCHAOX-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-3-fluoro-2-hydrazinyl-N-methylbenzamide
CID 62660100
N-ethyl-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62648777
N-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62661525
N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide
CID 62650072
N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62660297
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide
CID 62662231
N-(cyclobutylmethyl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 79886002
N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829035
3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide
CID 79864806
N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82828965
N-[(3-bromocyclobutyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 80672115
N-(cyclobutylmethyl)-N-methyl-3-(methylamino)benzamide
CID 115160920

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide?
The IUPAC name of N-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide (CID 62856801) is N-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide is CNc1c(F)cccc1C(=O)N(C)CC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide?
The InChIKey is MTZSQDZQNCHAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-16-13-11(7-4-8-12(13)15)14(18)17(2)9-10-5-3-6-10/h4,7-8,10,16H,3,5-6,9H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide?
N-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide has a molecular weight of 250.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide is sourced from PubChem (CID 62856801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).