5-chloro-N-ethyl-2-methoxy-N-phenylbenzamide

C16H16ClNO2 — CID 670148

IUPAC5-chloro-N-ethyl-2-methoxy-N-phenylbenzamide
SMILESCCN(C(=O)c1cc(Cl)ccc1OC)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-3-18(13-7-5-4-6-8-13)16(19)14-11-12(17)9-10-15(14)20-2/h4-11H,3H2,1-2H3
InChIKeyXHYYOLOYGOFHFU-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.02
Rot. Bonds4

About 5-chloro-N-ethyl-2-methoxy-N-phenylbenzamide

5-chloro-N-ethyl-2-methoxy-N-phenylbenzamide (PubChem CID 670148) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 5-chloro-N-ethyl-2-methoxy-N-phenylbenzamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-2-methoxy-N-phenylbenzamide
PubChem CID670148
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name5-chloro-N-ethyl-2-methoxy-N-phenylbenzamide
SMILESCCN(C(=O)c1cc(Cl)ccc1OC)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-3-18(13-7-5-4-6-8-13)16(19)14-11-12(17)9-10-15(14)20-2/h4-11H,3H2,1-2H3
InChIKeyXHYYOLOYGOFHFU-UHFFFAOYSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-2-methoxy-N-phenylbenzamide?
The IUPAC name of 5-chloro-N-ethyl-2-methoxy-N-phenylbenzamide (CID 670148) is 5-chloro-N-ethyl-2-methoxy-N-phenylbenzamide.
What is the SMILES notation for 5-chloro-N-ethyl-2-methoxy-N-phenylbenzamide?
The canonical SMILES for 5-chloro-N-ethyl-2-methoxy-N-phenylbenzamide is CCN(C(=O)c1cc(Cl)ccc1OC)c1ccccc1.
What is the InChIKey of 5-chloro-N-ethyl-2-methoxy-N-phenylbenzamide?
The InChIKey is XHYYOLOYGOFHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-3-18(13-7-5-4-6-8-13)16(19)14-11-12(17)9-10-15(14)20-2/h4-11H,3H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-2-methoxy-N-phenylbenzamide?
5-chloro-N-ethyl-2-methoxy-N-phenylbenzamide has a molecular weight of 289.76 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-2-methoxy-N-phenylbenzamide is sourced from PubChem (CID 670148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).