4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide

C14H21ClN2O2 — CID 103189268

IUPAC4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide
SMILESCCN(C(=O)c1ccc(Cl)cc1O)C(C)CN(C)C
InChIInChI=1S/C14H21ClN2O2/c1-5-17(10(2)9-16(3)4)14(19)12-7-6-11(15)8-13(12)18/h6-8,10,18H,5,9H2,1-4H3
InChIKeyOSCSBRNKTWAJGA-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.46
Rot. Bonds5

About 4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide

4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide (PubChem CID 103189268) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide
PubChem CID103189268
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide
SMILESCCN(C(=O)c1ccc(Cl)cc1O)C(C)CN(C)C
InChIInChI=1S/C14H21ClN2O2/c1-5-17(10(2)9-16(3)4)14(19)12-7-6-11(15)8-13(12)18/h6-8,10,18H,5,9H2,1-4H3
InChIKeyOSCSBRNKTWAJGA-UHFFFAOYSA-N
XLogP2.46
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62335326
5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide
CID 103280942
N-(2-bromopropyl)-4-chloro-2-hydroxy-N-methylbenzamide
CID 80666240
N-(2-bromoethyl)-4-chloro-2-hydroxy-N-propan-2-ylbenzamide
CID 80666528
4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 54942659
4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63957648
4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide
CID 115611590
4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide
CID 54988577
4-chloro-N-(2-cyanoethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54997017
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54945824
2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 61107492
4-chloro-N-ethyl-2-iodo-N-propan-2-ylbenzamide
CID 121012728

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide?
The IUPAC name of 4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide (CID 103189268) is 4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide.
What is the SMILES notation for 4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide?
The canonical SMILES for 4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide is CCN(C(=O)c1ccc(Cl)cc1O)C(C)CN(C)C.
What is the InChIKey of 4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide?
The InChIKey is OSCSBRNKTWAJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-5-17(10(2)9-16(3)4)14(19)12-7-6-11(15)8-13(12)18/h6-8,10,18H,5,9H2,1-4H3.
What are the key properties of 4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide?
4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide has a molecular weight of 284.79 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide is sourced from PubChem (CID 103189268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).