2-amino-4,5-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide

C10H12F2N2O2 — CID 94334111

IUPAC2-amino-4,5-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide
SMILESC[C@@H](CO)NC(=O)c1cc(F)c(F)cc1N
InChIInChI=1S/C10H12F2N2O2/c1-5(4-15)14-10(16)6-2-7(11)8(12)3-9(6)13/h2-3,5,15H,4,13H2,1H3,(H,14,16)/t5-/m0/s1
InChIKeyXTWRKERPSZUHKN-YFKPBYRVSA-N
MW230.21 g/mol
LogP0.66
Rot. Bonds3

About 2-amino-4,5-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide

2-amino-4,5-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide (PubChem CID 94334111) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-amino-4,5-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound Name2-amino-4,5-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide
PubChem CID94334111
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name2-amino-4,5-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide
SMILESC[C@@H](CO)NC(=O)c1cc(F)c(F)cc1N
InChIInChI=1S/C10H12F2N2O2/c1-5(4-15)14-10(16)6-2-7(11)8(12)3-9(6)13/h2-3,5,15H,4,13H2,1H3,(H,14,16)/t5-/m0/s1
InChIKeyXTWRKERPSZUHKN-YFKPBYRVSA-N
XLogP0.66
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4,5-difluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83177939
5-amino-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 93091479
2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 93081140
2-amino-4,5-difluoro-N-pent-1-yn-3-ylbenzamide
CID 106223425
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide
CID 107218626
2-amino-4,5-difluoro-N-hex-1-yn-3-ylbenzamide
CID 106223518
2,4,6-trifluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 65100571
2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-4,5-difluorobenzamide
CID 114152397
2-amino-4,5-difluoro-N-(4-hydroxypentyl)benzamide
CID 106118883
1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729
2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide
CID 65039606
N-(1-aminopropan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 63731123

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide?
The IUPAC name of 2-amino-4,5-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide (CID 94334111) is 2-amino-4,5-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for 2-amino-4,5-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide?
The canonical SMILES for 2-amino-4,5-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide is C[C@@H](CO)NC(=O)c1cc(F)c(F)cc1N.
What is the InChIKey of 2-amino-4,5-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide?
The InChIKey is XTWRKERPSZUHKN-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-5(4-15)14-10(16)6-2-7(11)8(12)3-9(6)13/h2-3,5,15H,4,13H2,1H3,(H,14,16)/t5-/m0/s1.
What are the key properties of 2-amino-4,5-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide?
2-amino-4,5-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide has a molecular weight of 230.21 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 94334111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).