5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide

C14H18ClNO3 — CID 17297293

IUPAC5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCCOc1ccc(Cl)cc1C(=O)NCC1CCCO1
InChIInChI=1S/C14H18ClNO3/c1-2-18-13-6-5-10(15)8-12(13)14(17)16-9-11-4-3-7-19-11/h5-6,8,11H,2-4,7,9H2,1H3,(H,16,17)
InChIKeyVXTCOKSTGTVBOY-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.65
Rot. Bonds5

About 5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide

5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 17297293) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide
PubChem CID17297293
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCCOc1ccc(Cl)cc1C(=O)NCC1CCCO1
InChIInChI=1S/C14H18ClNO3/c1-2-18-13-6-5-10(15)8-12(13)14(17)16-9-11-4-3-7-19-11/h5-6,8,11H,2-4,7,9H2,1H3,(H,16,17)
InChIKeyVXTCOKSTGTVBOY-UHFFFAOYSA-N
XLogP2.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide
CID 47187984
1-[(5-chloro-2-methoxybenzoyl)amino]-3-(oxolan-2-ylmethyl)thiourea
CID 17373498
2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 28690163
4-ethoxy-3-(methoxymethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 133254195
2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide
CID 16547670
4-ethoxy-3-(ethoxymethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 133149981
3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 24506289
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
4-chloro-2-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 789164
6-chloro-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 862279

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide (CID 17297293) is 5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide is CCOc1ccc(Cl)cc1C(=O)NCC1CCCO1.
What is the InChIKey of 5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is VXTCOKSTGTVBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-2-18-13-6-5-10(15)8-12(13)14(17)16-9-11-4-3-7-19-11/h5-6,8,11H,2-4,7,9H2,1H3,(H,16,17).
What are the key properties of 5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide?
5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 283.75 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 17297293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).