2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide

C17H18ClNO2 — CID 106509859

IUPAC2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C(C)c2ccccc2O)c(Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-11-8-9-14(15(18)10-11)17(21)19(3)12(2)13-6-4-5-7-16(13)20/h4-10,12,20H,1-3H3
InChIKeyQBOGCLAODLJVKC-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.19
Rot. Bonds3

About 2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide

2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide (PubChem CID 106509859) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide
PubChem CID106509859
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C(C)c2ccccc2O)c(Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-11-8-9-14(15(18)10-11)17(21)19(3)12(2)13-6-4-5-7-16(13)20/h4-10,12,20H,1-3H3
InChIKeyQBOGCLAODLJVKC-UHFFFAOYSA-N
XLogP4.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
2-amino-N-[1-(2-chlorophenyl)ethyl]-N,5-dimethylbenzamide
CID 62980696
2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 103885573
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide
CID 61044662
3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide
CID 103867275
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 75806999
3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61114053
5,6-dichloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 61052151
5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide
CID 61113866
5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 54913059
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 61043693

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide?
The IUPAC name of 2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide (CID 106509859) is 2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide?
The canonical SMILES for 2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)C(C)c2ccccc2O)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide?
The InChIKey is QBOGCLAODLJVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11-8-9-14(15(18)10-11)17(21)19(3)12(2)13-6-4-5-7-16(13)20/h4-10,12,20H,1-3H3.
What are the key properties of 2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide?
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide has a molecular weight of 303.79 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 106509859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).