N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide

C17H17NO4 — CID 110732808

IUPACN-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(C2OCCO2)cc1
InChIInChI=1S/C17H17NO4/c1-20-15-5-3-2-4-14(15)16(19)18-13-8-6-12(7-9-13)17-21-10-11-22-17/h2-9,17H,10-11H2,1H3,(H,18,19)
InChIKeyXBWPNAVQTNCGAU-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.99
Rot. Bonds4

About N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide

N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide (PubChem CID 110732808) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide
PubChem CID110732808
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC NameN-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(C2OCCO2)cc1
InChIInChI=1S/C17H17NO4/c1-20-15-5-3-2-4-14(15)16(19)18-13-8-6-12(7-9-13)17-21-10-11-22-17/h2-9,17H,10-11H2,1H3,(H,18,19)
InChIKeyXBWPNAVQTNCGAU-UHFFFAOYSA-N
XLogP2.99
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-dioxolan-2-yl)phenyl]-2-fluorobenzamide
CID 110732804
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]-2-methoxybenzamide
CID 110637730
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide
CID 110352322
2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 42427479
N-[4-(benzylamino)phenyl]-2-methoxybenzamide
CID 112981909
[4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate
CID 26699631
2-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686423
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2-methoxybenzamide
CID 110408869
N-[4-(hydrazinecarbonyl)phenyl]-2-methoxybenzamide
CID 139030098
2-methoxy-N-[4-(2-oxoimidazolidine-1-carbonyl)phenyl]benzamide
CID 56922876

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide (CID 110732808) is N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(C2OCCO2)cc1.
What is the InChIKey of N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide?
The InChIKey is XBWPNAVQTNCGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-20-15-5-3-2-4-14(15)16(19)18-13-8-6-12(7-9-13)17-21-10-11-22-17/h2-9,17H,10-11H2,1H3,(H,18,19).
What are the key properties of N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide?
N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide has a molecular weight of 299.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 110732808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).