N-ethyl-2-fluoro-4-propan-2-ylbenzamide

C12H16FNO — CID 174350418

IUPACN-ethyl-2-fluoro-4-propan-2-ylbenzamide
SMILESCCNC(=O)c1ccc(C(C)C)cc1F
InChIInChI=1S/C12H16FNO/c1-4-14-12(15)10-6-5-9(8(2)3)7-11(10)13/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyMJDZXHMLKLZOPV-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.70
Rot. Bonds3

About N-ethyl-2-fluoro-4-propan-2-ylbenzamide

N-ethyl-2-fluoro-4-propan-2-ylbenzamide (PubChem CID 174350418) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-ethyl-2-fluoro-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-4-propan-2-ylbenzamide
PubChem CID174350418
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-ethyl-2-fluoro-4-propan-2-ylbenzamide
SMILESCCNC(=O)c1ccc(C(C)C)cc1F
InChIInChI=1S/C12H16FNO/c1-4-14-12(15)10-6-5-9(8(2)3)7-11(10)13/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyMJDZXHMLKLZOPV-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(aminomethyl)-N-ethyl-2-fluorobenzamide
CID 90167372
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-4-methylbenzamide
CID 119526803
N-ethyl-2-methyl-6-propan-2-ylquinoline-4-carboxamide
CID 53016185
4-(6-chloropyridazin-3-yl)-N-ethyl-2-fluorobenzamide
CID 90060790
N-ethyl-2-fluoro-4-(4-formylphenyl)benzamide
CID 75537237
4-azido-N-ethyl-2-fluorobenzamide
CID 140535519
4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 24683116
N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 24594828
2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide
CID 55376253
4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide
CID 120650065
N-ethyl-2-fluoro-4-propan-2-ylaniline
CID 134414271
4-[4-(ethylcarbamoyl)-3-fluorophenyl]-3-fluorobenzoic acid
CID 53228380

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-4-propan-2-ylbenzamide?
The IUPAC name of N-ethyl-2-fluoro-4-propan-2-ylbenzamide (CID 174350418) is N-ethyl-2-fluoro-4-propan-2-ylbenzamide.
What is the SMILES notation for N-ethyl-2-fluoro-4-propan-2-ylbenzamide?
The canonical SMILES for N-ethyl-2-fluoro-4-propan-2-ylbenzamide is CCNC(=O)c1ccc(C(C)C)cc1F.
What is the InChIKey of N-ethyl-2-fluoro-4-propan-2-ylbenzamide?
The InChIKey is MJDZXHMLKLZOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-4-14-12(15)10-6-5-9(8(2)3)7-11(10)13/h5-8H,4H2,1-3H3,(H,14,15).
What are the key properties of N-ethyl-2-fluoro-4-propan-2-ylbenzamide?
N-ethyl-2-fluoro-4-propan-2-ylbenzamide has a molecular weight of 209.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-4-propan-2-ylbenzamide is sourced from PubChem (CID 174350418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).