N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide

C14H19FN2O — CID 112702550

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NCCN(C)C1CC1
InChIInChI=1S/C14H19FN2O/c1-10-9-11(15)3-6-13(10)14(18)16-7-8-17(2)12-4-5-12/h3,6,9,12H,4-5,7-8H2,1-2H3,(H,16,18)
InChIKeyYKEXLZLPYJOCPU-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.96
Rot. Bonds5

About N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide

N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide (PubChem CID 112702550) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide
PubChem CID112702550
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NCCN(C)C1CC1
InChIInChI=1S/C14H19FN2O/c1-10-9-11(15)3-6-13(10)14(18)16-7-8-17(2)12-4-5-12/h3,6,9,12H,4-5,7-8H2,1-2H3,(H,16,18)
InChIKeyYKEXLZLPYJOCPU-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[cyclopentyl(methyl)amino]ethyl]-4-fluoro-2-hydroxybenzamide
CID 103829954
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
CID 79776956
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62978558
N-[2-[cyclopropyl(methyl)amino]ethyl]-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62978382
N-cyclopropyl-4-fluoro-N,2-dimethylbenzamide
CID 115745650
N-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide
CID 112702497
4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide
CID 115745663
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide
CID 62059516
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide
CID 55142391
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbenzamide
CID 62060153
4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-3,6-dimethylbenzoic acid
CID 103429053

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide (CID 112702550) is N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide is Cc1cc(F)ccc1C(=O)NCCN(C)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide?
The InChIKey is YKEXLZLPYJOCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-9-11(15)3-6-13(10)14(18)16-7-8-17(2)12-4-5-12/h3,6,9,12H,4-5,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide has a molecular weight of 250.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 112702550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).