4-[(2,5-difluorophenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzamide

C17H18F2N2O2 — CID 111970105

IUPAC4-[(2,5-difluorophenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1ccc(NCc2cc(F)ccc2F)cc1
InChIInChI=1S/C17H18F2N2O2/c1-11(10-22)21-17(23)12-2-5-15(6-3-12)20-9-13-8-14(18)4-7-16(13)19/h2-8,11,20,22H,9-10H2,1H3,(H,21,23)
InChIKeyVLWNPBRDIYHJAU-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.69
Rot. Bonds6

About 4-[(2,5-difluorophenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzamide

4-[(2,5-difluorophenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzamide (PubChem CID 111970105) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 4-[(2,5-difluorophenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2,5-difluorophenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzamide
PubChem CID111970105
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name4-[(2,5-difluorophenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1ccc(NCc2cc(F)ccc2F)cc1
InChIInChI=1S/C17H18F2N2O2/c1-11(10-22)21-17(23)12-2-5-15(6-3-12)20-9-13-8-14(18)4-7-16(13)19/h2-8,11,20,22H,9-10H2,1H3,(H,21,23)
InChIKeyVLWNPBRDIYHJAU-UHFFFAOYSA-N
XLogP2.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(2,5-difluorophenyl)methylamino]benzoate
CID 43312807
4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 95765057
N-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline
CID 43312594
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
CID 81284566
N-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide
CID 63790510
4-fluoro-N-(1-hydroxypropan-2-yl)-3-sulfanylbenzamide
CID 107029570
4-[(3,4-difluorophenyl)methylamino]-N-(1-hydroxybutan-2-yl)benzamide
CID 111434565
N-(1-hydroxypropan-2-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide
CID 111113250
N-[(2S)-1-hydroxypropan-2-yl]-4-(quinolin-8-ylmethylamino)benzamide
CID 97221268
3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 110903075
3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79031074
N-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide
CID 63791568

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluorophenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzamide?
The IUPAC name of 4-[(2,5-difluorophenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzamide (CID 111970105) is 4-[(2,5-difluorophenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for 4-[(2,5-difluorophenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzamide?
The canonical SMILES for 4-[(2,5-difluorophenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzamide is CC(CO)NC(=O)c1ccc(NCc2cc(F)ccc2F)cc1.
What is the InChIKey of 4-[(2,5-difluorophenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzamide?
The InChIKey is VLWNPBRDIYHJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-11(10-22)21-17(23)12-2-5-15(6-3-12)20-9-13-8-14(18)4-7-16(13)19/h2-8,11,20,22H,9-10H2,1H3,(H,21,23).
What are the key properties of 4-[(2,5-difluorophenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzamide?
4-[(2,5-difluorophenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzamide has a molecular weight of 320.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluorophenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 111970105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).