4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide

C12H14ClFN2O2 — CID 24683116

IUPAC4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
SMILESCCNC(=O)C(C)NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H14ClFN2O2/c1-3-15-11(17)7(2)16-12(18)9-5-4-8(13)6-10(9)14/h4-7H,3H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyLOWVMFGZHJQCEZ-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.73
Rot. Bonds4

About 4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide

4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide (PubChem CID 24683116) has the molecular formula C12H14ClFN2O2 and a molecular weight of 272.71 g/mol. Its IUPAC name is 4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
PubChem CID24683116
Molecular FormulaC12H14ClFN2O2
Molecular Weight272.71 g/mol
Exact Mass272.07
IUPAC Name4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
SMILESCCNC(=O)C(C)NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H14ClFN2O2/c1-3-15-11(17)7(2)16-12(18)9-5-4-8(13)6-10(9)14/h4-7H,3H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyLOWVMFGZHJQCEZ-UHFFFAOYSA-N
XLogP1.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 47112870
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664509
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide
CID 113304525
2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733040
2-amino-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61476340
4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide
CID 83187469
2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide
CID 107676818
N-[(2S)-1-aminopropan-2-yl]-4-chloro-2-fluorobenzamide;hydrochloride
CID 120508532
N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide
CID 65194048
4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915104
N-but-3-yn-2-yl-4-chloro-2-fluorobenzamide
CID 114390061
5-chloro-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 61478844

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide (CID 24683116) is 4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide is CCNC(=O)C(C)NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide?
The InChIKey is LOWVMFGZHJQCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O2/c1-3-15-11(17)7(2)16-12(18)9-5-4-8(13)6-10(9)14/h4-7H,3H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide?
4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide has a molecular weight of 272.71 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 24683116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).