N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide

C18H21ClN2O2 — CID 110885502

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1ccc(C(=O)NCC(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-21(2)12-13-3-5-15(6-4-13)18(23)20-11-17(22)14-7-9-16(19)10-8-14/h3-10,17,22H,11-12H2,1-2H3,(H,20,23)
InChIKeyLXIGBHPYMGHHCL-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.87
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide (PubChem CID 110885502) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide
PubChem CID110885502
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1ccc(C(=O)NCC(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-21(2)12-13-3-5-15(6-4-13)18(23)20-11-17(22)14-7-9-16(19)10-8-14/h3-10,17,22H,11-12H2,1-2H3,(H,20,23)
InChIKeyLXIGBHPYMGHHCL-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
CID 90581781
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
CID 47022574
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 110888066
3-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111458155
4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613299
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
CID 47022575
2-[[[4-[(dimethylamino)methyl]benzoyl]amino]methyl]butanoic acid
CID 65219407
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-prop-2-ynoxybenzamide
CID 111477067
N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide
CID 86981673
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,4-difluorobenzamide
CID 90581425

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide (CID 110885502) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide is CN(C)Cc1ccc(C(=O)NCC(O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide?
The InChIKey is LXIGBHPYMGHHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-21(2)12-13-3-5-15(6-4-13)18(23)20-11-17(22)14-7-9-16(19)10-8-14/h3-10,17,22H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide has a molecular weight of 332.83 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide is sourced from PubChem (CID 110885502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).