5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide

C12H15ClFNO — CID 61063559

IUPAC5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1cc(Cl)ccc1F)C(C)C
InChIInChI=1S/C12H15ClFNO/c1-4-15(8(2)3)12(16)10-7-9(13)5-6-11(10)14/h5-8H,4H2,1-3H3
InChIKeyUBGSAKGUHPYNCL-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.35
Rot. Bonds3

About 5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide

5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide (PubChem CID 61063559) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide
PubChem CID61063559
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1cc(Cl)ccc1F)C(C)C
InChIInChI=1S/C12H15ClFNO/c1-4-15(8(2)3)12(16)10-7-9(13)5-6-11(10)14/h5-8H,4H2,1-3H3
InChIKeyUBGSAKGUHPYNCL-UHFFFAOYSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-ethyl-2-iodo-N-propan-2-ylbenzamide
CID 121012728
N-(3-amino-3-hydroxyiminopropyl)-5-chloro-2-fluoro-N-propan-2-ylbenzamide
CID 76911446
N-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide
CID 79776951
5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702408
(2S)-2-[4-chloro-2-[4-[ethyl(propan-2-yl)carbamoyl]-3-fluorophenyl]phenoxy]propanoic acid
CID 59736997
N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide
CID 117044863
5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 43573260
N-butan-2-yl-5-chloro-N-ethyl-2-hydrazinylbenzamide
CID 62241178
2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide
CID 107026404
5-chloro-3-[ethyl(propan-2-yl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 82891061
N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide
CID 43136631
2-[(2-fluoro-5-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 62514429

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of 5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide (CID 61063559) is 5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for 5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide is CCN(C(=O)c1cc(Cl)ccc1F)C(C)C.
What is the InChIKey of 5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide?
The InChIKey is UBGSAKGUHPYNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-4-15(8(2)3)12(16)10-7-9(13)5-6-11(10)14/h5-8H,4H2,1-3H3.
What are the key properties of 5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide?
5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide has a molecular weight of 243.71 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 61063559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).