3-(3-chloro-5-hydroxyphenyl)-N,N-dimethylbenzamide

C15H14ClNO2 — CID 53221465

IUPAC3-(3-chloro-5-hydroxyphenyl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2cc(O)cc(Cl)c2)c1
InChIInChI=1S/C15H14ClNO2/c1-17(2)15(19)11-5-3-4-10(6-11)12-7-13(16)9-14(18)8-12/h3-9,18H,1-2H3
InChIKeyNMQMTHGOBIXNHX-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.41
Rot. Bonds2

About 3-(3-chloro-5-hydroxyphenyl)-N,N-dimethylbenzamide

3-(3-chloro-5-hydroxyphenyl)-N,N-dimethylbenzamide (PubChem CID 53221465) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-(3-chloro-5-hydroxyphenyl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(3-chloro-5-hydroxyphenyl)-N,N-dimethylbenzamide
PubChem CID53221465
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name3-(3-chloro-5-hydroxyphenyl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2cc(O)cc(Cl)c2)c1
InChIInChI=1S/C15H14ClNO2/c1-17(2)15(19)11-5-3-4-10(6-11)12-7-13(16)9-14(18)8-12/h3-9,18H,1-2H3
InChIKeyNMQMTHGOBIXNHX-UHFFFAOYSA-N
XLogP3.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-3-(4-methylphenyl)benzamide
CID 121373381
3-(3-chloro-5-hydroxyphenyl)-N-cyclopropylbenzamide
CID 53221507
3-chloro-5-(3-hydroxyphenyl)benzoic acid
CID 53224975
3-(3-ethylphenyl)-N,N-dimethylbenzamide
CID 20651355
3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide
CID 70972215
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]benzamide
CID 166329824
3-(2-fluoro-4-hydroxyphenyl)-N,N-dimethylbenzamide
CID 53219633
3-(3-hydroxy-2-pyridinyl)-N,N-dimethylbenzamide
CID 53218059
1-[3-(3-chlorophenyl)phenyl]ethanone
CID 4304570
3-(6-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylbenzamide
CID 39826228
1-[3-(3-hydroxy-5-methylphenyl)phenyl]ethanone
CID 53218902
3-[2-(2-aminopropan-2-yl)phenyl]-N,N-dimethylbenzamide
CID 21352681

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-hydroxyphenyl)-N,N-dimethylbenzamide?
The IUPAC name of 3-(3-chloro-5-hydroxyphenyl)-N,N-dimethylbenzamide (CID 53221465) is 3-(3-chloro-5-hydroxyphenyl)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(3-chloro-5-hydroxyphenyl)-N,N-dimethylbenzamide?
The canonical SMILES for 3-(3-chloro-5-hydroxyphenyl)-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2cc(O)cc(Cl)c2)c1.
What is the InChIKey of 3-(3-chloro-5-hydroxyphenyl)-N,N-dimethylbenzamide?
The InChIKey is NMQMTHGOBIXNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-17(2)15(19)11-5-3-4-10(6-11)12-7-13(16)9-14(18)8-12/h3-9,18H,1-2H3.
What are the key properties of 3-(3-chloro-5-hydroxyphenyl)-N,N-dimethylbenzamide?
3-(3-chloro-5-hydroxyphenyl)-N,N-dimethylbenzamide has a molecular weight of 275.74 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-hydroxyphenyl)-N,N-dimethylbenzamide is sourced from PubChem (CID 53221465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).