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

C12H14ClFN2O2 — CID 47112870

IUPAC2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
SMILESCCNC(=O)C(C)NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H14ClFN2O2/c1-3-15-11(17)7(2)16-12(18)9-5-4-8(14)6-10(9)13/h4-7H,3H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyMOWJWWYPMOBLBL-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.73
Rot. Bonds4

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

2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide (PubChem CID 47112870) has the molecular formula C12H14ClFN2O2 and a molecular weight of 272.71 g/mol. Its IUPAC name is 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
PubChem CID47112870
Molecular FormulaC12H14ClFN2O2
Molecular Weight272.71 g/mol
Exact Mass272.07
IUPAC Name2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
SMILESCCNC(=O)C(C)NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H14ClFN2O2/c1-3-15-11(17)7(2)16-12(18)9-5-4-8(14)6-10(9)13/h4-7H,3H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyMOWJWWYPMOBLBL-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

N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide
CID 113304525
4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 24683116
2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide
CID 64997029
2-chloro-4-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811664
2-chloro-4-fluoro-N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811663
2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733040
N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide
CID 104873137
2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51206303
N-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide
CID 65193733
2-chloro-N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 2712751
2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750829
3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide
CID 107120558

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide (CID 47112870) is 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide is CCNC(=O)C(C)NC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide?
The InChIKey is MOWJWWYPMOBLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O2/c1-3-15-11(17)7(2)16-12(18)9-5-4-8(14)6-10(9)13/h4-7H,3H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide?
2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-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 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 47112870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).