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

C13H18ClFN2O — CID 91659401

IUPACN-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride
SMILESCc1cc(C(=O)NCCNC2CC2)ccc1F.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-9-8-10(2-5-12(9)14)13(17)16-7-6-15-11-3-4-11;/h2,5,8,11,15H,3-4,6-7H2,1H3,(H,16,17);1H
InChIKeyRSLZNCUUGBFJCL-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.04
Rot. Bonds5

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

N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride (PubChem CID 91659401) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride
PubChem CID91659401
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC NameN-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride
SMILESCc1cc(C(=O)NCCNC2CC2)ccc1F.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-9-8-10(2-5-12(9)14)13(17)16-7-6-15-11-3-4-11;/h2,5,8,11,15H,3-4,6-7H2,1H3,(H,16,17);1H
InChIKeyRSLZNCUUGBFJCL-UHFFFAOYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.04
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]-3-fluoro-4-methylbenzamide
CID 62664386
3-(cyclopropylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one
CID 94258396
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide
CID 78995301
N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
N-[3-(cyclopropylamino)propyl]-3,4-difluorobenzamide
CID 43596480
3-acetamido-N-[2-(cycloheptylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119619954
3-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one
CID 94268189
N-[2-(cyclopropylcarbamoylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 36508254
N-(3-aminopropyl)-4-fluoro-3-methylbenzamide
CID 63208781
N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
CID 55163457
N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide
CID 115611491

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride?
The IUPAC name of N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride (CID 91659401) is N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride?
The canonical SMILES for N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride is Cc1cc(C(=O)NCCNC2CC2)ccc1F.Cl.
What is the InChIKey of N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride?
The InChIKey is RSLZNCUUGBFJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O.ClH/c1-9-8-10(2-5-12(9)14)13(17)16-7-6-15-11-3-4-11;/h2,5,8,11,15H,3-4,6-7H2,1H3,(H,16,17);1H.
What are the key properties of N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride?
N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride has a molecular weight of 272.75 g/mol, XLogP of 2.04, 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]-4-fluoro-3-methylbenzamide;hydrochloride is sourced from PubChem (CID 91659401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).