4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide

C18H19FN2O2 — CID 110286605

IUPAC4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)[C@@H](NC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H19FN2O2/c1-12(2)20-18(23)16(13-6-4-3-5-7-13)21-17(22)14-8-10-15(19)11-9-14/h3-12,16H,1-2H3,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKeySSDZSSOZCKSKJC-INIZCTEOSA-N
MW314.36 g/mol
LogP2.82
Rot. Bonds5

About 4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide

4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 110286605) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID110286605
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)[C@@H](NC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H19FN2O2/c1-12(2)20-18(23)16(13-6-4-3-5-7-13)21-17(22)14-8-10-15(19)11-9-14/h3-12,16H,1-2H3,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKeySSDZSSOZCKSKJC-INIZCTEOSA-N
XLogP2.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286608
N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 110286640
3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110626082
4-fluoro-N-[(1S)-2-[4-(hydroxyamino)anilino]-2-oxo-1-phenylethyl]benzamide
CID 72705119
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
N-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide
CID 55455707
N-(2-hydrazinyl-2-oxo-1-phenylethyl)benzamide
CID 4534244
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide
CID 25391456
4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide
CID 166317910

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide (CID 110286605) is 4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide is CC(C)NC(=O)[C@@H](NC(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is SSDZSSOZCKSKJC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-12(2)20-18(23)16(13-6-4-3-5-7-13)21-17(22)14-8-10-15(19)11-9-14/h3-12,16H,1-2H3,(H,20,23)(H,21,22)/t16-/m0/s1.
What are the key properties of 4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide?
4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 314.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 110286605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).