4-[(1S,2S)-1,3-difluoro-2-phenylmethoxypropyl]benzamide

C17H17F2NO2 — CID 134960329

IUPAC4-[(1S,2S)-1,3-difluoro-2-phenylmethoxypropyl]benzamide
SMILESNC(=O)c1ccc([C@H](F)[C@H](CF)OCc2ccccc2)cc1
InChIInChI=1S/C17H17F2NO2/c18-10-15(22-11-12-4-2-1-3-5-12)16(19)13-6-8-14(9-7-13)17(20)21/h1-9,15-16H,10-11H2,(H2,20,21)/t15-,16-/m0/s1
InChIKeyOZUFDEULDPABHD-HOTGVXAUSA-N
MW305.32 g/mol
LogP3.35
Rot. Bonds7

About 4-[(1S,2S)-1,3-difluoro-2-phenylmethoxypropyl]benzamide

4-[(1S,2S)-1,3-difluoro-2-phenylmethoxypropyl]benzamide (PubChem CID 134960329) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 4-[(1S,2S)-1,3-difluoro-2-phenylmethoxypropyl]benzamide.

Molecular Properties

Compound Name4-[(1S,2S)-1,3-difluoro-2-phenylmethoxypropyl]benzamide
PubChem CID134960329
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name4-[(1S,2S)-1,3-difluoro-2-phenylmethoxypropyl]benzamide
SMILESNC(=O)c1ccc([C@H](F)[C@H](CF)OCc2ccccc2)cc1
InChIInChI=1S/C17H17F2NO2/c18-10-15(22-11-12-4-2-1-3-5-12)16(19)13-6-8-14(9-7-13)17(20)21/h1-9,15-16H,10-11H2,(H2,20,21)/t15-,16-/m0/s1
InChIKeyOZUFDEULDPABHD-HOTGVXAUSA-N
XLogP3.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(1S,2S)-1,3-difluoro-2-phenylmethoxypropyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylphenyl)-N-[(4-methylphenyl)methoxy]carboxamide
CID 4776030
3-methyl-N-[(4-methylbenzyl)oxy]benzamide
CID 19582487
3-(3-Carbamoyl-phenyl)-acrylic acid benzyl ester
CID 10540769
3-(3-Carbamoyl-phenyl)-acrylic acid phenethyl ester
CID 10494076
Benzyl 4-(aminomethyl)benzoate
CID 11356901
N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)benzamide
CID 2817603
(4-Carbamoylphenyl)methyl 3,5-bis(trifluoromethyl)benzoate
CID 27355692
3-Phenylpropyl 4-(aminomethyl)benzoate
CID 44365668
2-Phenylethyl 4-(aminomethyl)benzoate
CID 44365669
2,5-difluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 45900647
Ethyl 4-carbamoylbenzoate
CID 11194872
Isochroman-6-carboxamide
CID 53681010

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-1,3-difluoro-2-phenylmethoxypropyl]benzamide?
The IUPAC name of 4-[(1S,2S)-1,3-difluoro-2-phenylmethoxypropyl]benzamide (CID 134960329) is 4-[(1S,2S)-1,3-difluoro-2-phenylmethoxypropyl]benzamide.
What is the SMILES notation for 4-[(1S,2S)-1,3-difluoro-2-phenylmethoxypropyl]benzamide?
The canonical SMILES for 4-[(1S,2S)-1,3-difluoro-2-phenylmethoxypropyl]benzamide is NC(=O)c1ccc([C@H](F)[C@H](CF)OCc2ccccc2)cc1.
What is the InChIKey of 4-[(1S,2S)-1,3-difluoro-2-phenylmethoxypropyl]benzamide?
The InChIKey is OZUFDEULDPABHD-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H17F2NO2/c18-10-15(22-11-12-4-2-1-3-5-12)16(19)13-6-8-14(9-7-13)17(20)21/h1-9,15-16H,10-11H2,(H2,20,21)/t15-,16-/m0/s1.
What are the key properties of 4-[(1S,2S)-1,3-difluoro-2-phenylmethoxypropyl]benzamide?
4-[(1S,2S)-1,3-difluoro-2-phenylmethoxypropyl]benzamide has a molecular weight of 305.32 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-1,3-difluoro-2-phenylmethoxypropyl]benzamide is sourced from PubChem (CID 134960329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).