2-[[(4S)-2-phenyl-1,3-dioxolan-4-yl]methylamino]benzamide

C17H18N2O3 — CID 175775271

IUPAC2-[[(4S)-2-phenyl-1,3-dioxolan-4-yl]methylamino]benzamide
SMILESNC(=O)c1ccccc1NC[C@H]1COC(c2ccccc2)O1
InChIInChI=1S/C17H18N2O3/c18-16(20)14-8-4-5-9-15(14)19-10-13-11-21-17(22-13)12-6-2-1-3-7-12/h1-9,13,17,19H,10-11H2,(H2,18,20)/t13-,17?/m0/s1
InChIKeyHHHWCRQBWMRXCD-CWQZNGJJSA-N
MW298.34 g/mol
LogP2.31
Rot. Bonds5

About 2-[[(4S)-2-phenyl-1,3-dioxolan-4-yl]methylamino]benzamide

2-[[(4S)-2-phenyl-1,3-dioxolan-4-yl]methylamino]benzamide (PubChem CID 175775271) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[[(4S)-2-phenyl-1,3-dioxolan-4-yl]methylamino]benzamide.

Molecular Properties

Compound Name2-[[(4S)-2-phenyl-1,3-dioxolan-4-yl]methylamino]benzamide
PubChem CID175775271
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[[(4S)-2-phenyl-1,3-dioxolan-4-yl]methylamino]benzamide
SMILESNC(=O)c1ccccc1NC[C@H]1COC(c2ccccc2)O1
InChIInChI=1S/C17H18N2O3/c18-16(20)14-8-4-5-9-15(14)19-10-13-11-21-17(22-13)12-6-2-1-3-7-12/h1-9,13,17,19H,10-11H2,(H2,18,20)/t13-,17?/m0/s1
InChIKeyHHHWCRQBWMRXCD-CWQZNGJJSA-N
XLogP2.31
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4S)-2-phenyl-1,3-dioxolan-4-yl]methylamino]benzamide?
The IUPAC name of 2-[[(4S)-2-phenyl-1,3-dioxolan-4-yl]methylamino]benzamide (CID 175775271) is 2-[[(4S)-2-phenyl-1,3-dioxolan-4-yl]methylamino]benzamide.
What is the SMILES notation for 2-[[(4S)-2-phenyl-1,3-dioxolan-4-yl]methylamino]benzamide?
The canonical SMILES for 2-[[(4S)-2-phenyl-1,3-dioxolan-4-yl]methylamino]benzamide is NC(=O)c1ccccc1NC[C@H]1COC(c2ccccc2)O1.
What is the InChIKey of 2-[[(4S)-2-phenyl-1,3-dioxolan-4-yl]methylamino]benzamide?
The InChIKey is HHHWCRQBWMRXCD-CWQZNGJJSA-N. The full InChI is InChI=1S/C17H18N2O3/c18-16(20)14-8-4-5-9-15(14)19-10-13-11-21-17(22-13)12-6-2-1-3-7-12/h1-9,13,17,19H,10-11H2,(H2,18,20)/t13-,17?/m0/s1.
What are the key properties of 2-[[(4S)-2-phenyl-1,3-dioxolan-4-yl]methylamino]benzamide?
2-[[(4S)-2-phenyl-1,3-dioxolan-4-yl]methylamino]benzamide has a molecular weight of 298.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4S)-2-phenyl-1,3-dioxolan-4-yl]methylamino]benzamide is sourced from PubChem (CID 175775271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).