N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide

C19H21FN2O2 — CID 112995050

IUPACN-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C19H21FN2O2/c1-14(2)22(13-15-8-4-3-5-9-15)18(23)12-21-19(24)16-10-6-7-11-17(16)20/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyHXYVZVRUWKFDMI-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.99
Rot. Bonds6

About N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide

N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 112995050) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide
PubChem CID112995050
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C19H21FN2O2/c1-14(2)22(13-15-8-4-3-5-9-15)18(23)12-21-19(24)16-10-6-7-11-17(16)20/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyHXYVZVRUWKFDMI-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-chlorobenzamide
CID 112995074
N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
CID 110444087
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide
CID 113066552
N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide
CID 16983136
N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9479093
N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 18160814
N-benzyl-2-[(2-phenoxyacetyl)amino]-N-propan-2-ylacetamide
CID 112995071
N-benzyl-2-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 109000424
N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide
CID 24546968
N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide
CID 62509539
2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid
CID 61021393
2-[[2-[(2,4-difluorobenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
CID 139013505

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide (CID 112995050) is N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide is CC(C)N(Cc1ccccc1)C(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is HXYVZVRUWKFDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-14(2)22(13-15-8-4-3-5-9-15)18(23)12-21-19(24)16-10-6-7-11-17(16)20/h3-11,14H,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 328.39 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 112995050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).