N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-4-fluorobenzamide

C16H21FN2O3 — CID 94820192

IUPACN-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-4-fluorobenzamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3/c1-2-19(10-12-7-8-22-11-12)15(20)9-18-16(21)13-3-5-14(17)6-4-13/h3-6,12H,2,7-11H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyLSSWFCWBRKQFAC-LBPRGKRZSA-N
MW308.35 g/mol
LogP1.44
Rot. Bonds6

About N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-4-fluorobenzamide

N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 94820192) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-4-fluorobenzamide
PubChem CID94820192
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC NameN-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-4-fluorobenzamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3/c1-2-19(10-12-7-8-22-11-12)15(20)9-18-16(21)13-3-5-14(17)6-4-13/h3-6,12H,2,7-11H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyLSSWFCWBRKQFAC-LBPRGKRZSA-N
XLogP1.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 51098454
N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 94823366
N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 129365728
3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide
CID 103707104
N-ethyl-2-fluoro-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 80719027
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037
4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 94805874
N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide
CID 54874267
2-(4-fluorophenyl)-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 95973496
2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 95973495
N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 51082548
N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide
CID 94186751

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-4-fluorobenzamide (CID 94820192) is N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-4-fluorobenzamide is CCN(C[C@@H]1CCOC1)C(=O)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is LSSWFCWBRKQFAC-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-2-19(10-12-7-8-22-11-12)15(20)9-18-16(21)13-3-5-14(17)6-4-13/h3-6,12H,2,7-11H2,1H3,(H,18,21)/t12-/m0/s1.
What are the key properties of N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-4-fluorobenzamide?
N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 308.35 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 94820192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).