N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide

C13H17FN2O — CID 62664386

IUPACN-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC2CC2)cc1F
InChIInChI=1S/C13H17FN2O/c1-9-2-3-10(8-12(9)14)13(17)16-7-6-15-11-4-5-11/h2-3,8,11,15H,4-7H2,1H3,(H,16,17)
InChIKeyRBFXOPBETJRYNE-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.62
Rot. Bonds5

About N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide

N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide (PubChem CID 62664386) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
PubChem CID62664386
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC2CC2)cc1F
InChIInChI=1S/C13H17FN2O/c1-9-2-3-10(8-12(9)14)13(17)16-7-6-15-11-4-5-11/h2-3,8,11,15H,4-7H2,1H3,(H,16,17)
InChIKeyRBFXOPBETJRYNE-UHFFFAOYSA-N
XLogP1.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride
CID 91659401
N-[2-(cyclopropylcarbamoylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 36508254
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
N-[3-(cyclopropylamino)propyl]-3,4-difluorobenzamide
CID 43596480
4-bromo-N-[2-(cycloheptylamino)ethyl]-3-fluorobenzamide
CID 115306485
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119704149
4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide
CID 60965036
3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119704115
3-acetamido-N-[2-(cycloheptylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119619954
3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide
CID 35350643

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide (CID 62664386) is N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NCCNC2CC2)cc1F.
What is the InChIKey of N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide?
The InChIKey is RBFXOPBETJRYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-2-3-10(8-12(9)14)13(17)16-7-6-15-11-4-5-11/h2-3,8,11,15H,4-7H2,1H3,(H,16,17).
What are the key properties of N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide?
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide has a molecular weight of 236.29 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 62664386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).