4-chloro-N-[2-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethyl]benzamide

C20H25ClN2O2 — CID 5235390

IUPAC4-chloro-N-[2-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethyl]benzamide
SMILESCCN(CC)Cc1cc(CCNC(=O)c2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C20H25ClN2O2/c1-3-23(4-2)14-17-13-15(5-10-19(17)24)11-12-22-20(25)16-6-8-18(21)9-7-16/h5-10,13,24H,3-4,11-12,14H2,1-2H3,(H,22,25)
InChIKeyKYKCJPKYNHVTLQ-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.86
Rot. Bonds8

About 4-chloro-N-[2-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethyl]benzamide

4-chloro-N-[2-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethyl]benzamide (PubChem CID 5235390) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 4-chloro-N-[2-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethyl]benzamide
PubChem CID5235390
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name4-chloro-N-[2-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethyl]benzamide
SMILESCCN(CC)Cc1cc(CCNC(=O)c2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C20H25ClN2O2/c1-3-23(4-2)14-17-13-15(5-10-19(17)24)11-12-22-20(25)16-6-8-18(21)9-7-16/h5-10,13,24H,3-4,11-12,14H2,1-2H3,(H,22,25)
InChIKeyKYKCJPKYNHVTLQ-UHFFFAOYSA-N
XLogP3.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethyl]benzamide (CID 5235390) is 4-chloro-N-[2-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethyl]benzamide is CCN(CC)Cc1cc(CCNC(=O)c2ccc(Cl)cc2)ccc1O.
What is the InChIKey of 4-chloro-N-[2-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethyl]benzamide?
The InChIKey is KYKCJPKYNHVTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-3-23(4-2)14-17-13-15(5-10-19(17)24)11-12-22-20(25)16-6-8-18(21)9-7-16/h5-10,13,24H,3-4,11-12,14H2,1-2H3,(H,22,25).
What are the key properties of 4-chloro-N-[2-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethyl]benzamide?
4-chloro-N-[2-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethyl]benzamide has a molecular weight of 360.89 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethyl]benzamide is sourced from PubChem (CID 5235390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).