N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide

C14H17FN2O2 — CID 113230363

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCCNC(=O)C2CC2)c1
InChIInChI=1S/C14H17FN2O2/c1-9-2-5-12(15)11(8-9)14(19)17-7-6-16-13(18)10-3-4-10/h2,5,8,10H,3-4,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyZUABJUUVETUBQY-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.39
Rot. Bonds5

About N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide

N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide (PubChem CID 113230363) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide
PubChem CID113230363
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCCNC(=O)C2CC2)c1
InChIInChI=1S/C14H17FN2O2/c1-9-2-5-12(15)11(8-9)14(19)17-7-6-16-13(18)10-3-4-10/h2,5,8,10H,3-4,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyZUABJUUVETUBQY-UHFFFAOYSA-N
XLogP1.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.39
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-cyclopentylethyl)-2-fluoro-5-methylbenzamide
CID 62509050
2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62511184
2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659559
N-[2-(cyclopropanecarbonylamino)ethyl]-2,3,4-trifluorobenzamide
CID 108542400
N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 62509349
N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide
CID 113271582
4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid
CID 62514075
N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62615072
2-fluoro-5-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 62515661
(2S)-4-[(2-fluoro-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 114006664
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide
CID 115738037
4-[(2-fluoro-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107832609

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide (CID 113230363) is N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)NCCNC(=O)C2CC2)c1.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide?
The InChIKey is ZUABJUUVETUBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-9-2-5-12(15)11(8-9)14(19)17-7-6-16-13(18)10-3-4-10/h2,5,8,10H,3-4,6-7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide has a molecular weight of 264.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 113230363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).