3,5-dichloro-N,N-diethyl-4-[hydroxy(phenyl)methyl]benzamide

C18H19Cl2NO2 — CID 10736703

IUPAC3,5-dichloro-N,N-diethyl-4-[hydroxy(phenyl)methyl]benzamide
SMILESCCN(CC)C(=O)c1cc(Cl)c(C(O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C18H19Cl2NO2/c1-3-21(4-2)18(23)13-10-14(19)16(15(20)11-13)17(22)12-8-6-5-7-9-12/h5-11,17,22H,3-4H2,1-2H3
InChIKeyJYNZFFMIUXRXKL-UHFFFAOYSA-N
MW352.26 g/mol
LogP4.56
Rot. Bonds5

About 3,5-dichloro-N,N-diethyl-4-[hydroxy(phenyl)methyl]benzamide

3,5-dichloro-N,N-diethyl-4-[hydroxy(phenyl)methyl]benzamide (PubChem CID 10736703) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 3,5-dichloro-N,N-diethyl-4-[hydroxy(phenyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N,N-diethyl-4-[hydroxy(phenyl)methyl]benzamide
PubChem CID10736703
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name3,5-dichloro-N,N-diethyl-4-[hydroxy(phenyl)methyl]benzamide
SMILESCCN(CC)C(=O)c1cc(Cl)c(C(O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C18H19Cl2NO2/c1-3-21(4-2)18(23)13-10-14(19)16(15(20)11-13)17(22)12-8-6-5-7-9-12/h5-11,17,22H,3-4H2,1-2H3
InChIKeyJYNZFFMIUXRXKL-UHFFFAOYSA-N
XLogP4.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-trichloro-N,N-diethylbenzamide
CID 50849492
N,N-diethyl-2-[(S)-hydroxy(phenyl)methyl]benzamide
CID 129385502
4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide
CID 82812598
CID 174412487
CID 174412487
N,N-diethyl-3-[(2-hydroxy-2-phenylacetyl)amino]benzamide
CID 111432146
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
N,N-diethyl-3,5-di(propan-2-yl)benzamide
CID 71210847
tripotassium;N,N-diethylbenzamide;tritetrafluoroborate
CID 121234148
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492
3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide
CID 56812632
N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-ethylbenzamide
CID 22137550

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N,N-diethyl-4-[hydroxy(phenyl)methyl]benzamide?
The IUPAC name of 3,5-dichloro-N,N-diethyl-4-[hydroxy(phenyl)methyl]benzamide (CID 10736703) is 3,5-dichloro-N,N-diethyl-4-[hydroxy(phenyl)methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N,N-diethyl-4-[hydroxy(phenyl)methyl]benzamide?
The canonical SMILES for 3,5-dichloro-N,N-diethyl-4-[hydroxy(phenyl)methyl]benzamide is CCN(CC)C(=O)c1cc(Cl)c(C(O)c2ccccc2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-N,N-diethyl-4-[hydroxy(phenyl)methyl]benzamide?
The InChIKey is JYNZFFMIUXRXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-3-21(4-2)18(23)13-10-14(19)16(15(20)11-13)17(22)12-8-6-5-7-9-12/h5-11,17,22H,3-4H2,1-2H3.
What are the key properties of 3,5-dichloro-N,N-diethyl-4-[hydroxy(phenyl)methyl]benzamide?
3,5-dichloro-N,N-diethyl-4-[hydroxy(phenyl)methyl]benzamide has a molecular weight of 352.26 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N,N-diethyl-4-[hydroxy(phenyl)methyl]benzamide is sourced from PubChem (CID 10736703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).