N-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide

C17H18ClNO2 — CID 78790869

IUPACN-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1O
InChIInChI=1S/C17H18ClNO2/c1-19(12-13-5-4-7-15(18)11-13)17(21)10-9-14-6-2-3-8-16(14)20/h2-8,11,20H,9-10,12H2,1H3
InChIKeyKSQQQUQRDRISDK-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.64
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide

N-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide (PubChem CID 78790869) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide
PubChem CID78790869
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1O
InChIInChI=1S/C17H18ClNO2/c1-19(12-13-5-4-7-15(18)11-13)17(21)10-9-14-6-2-3-8-16(14)20/h2-8,11,20H,9-10,12H2,1H3
InChIKeyKSQQQUQRDRISDK-UHFFFAOYSA-N
XLogP3.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 61117260
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058
5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide
CID 82851613
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 112792374
4-[(3-chlorophenyl)methyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302188
N-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide
CID 62210205
3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43309193
N-[(3-chlorophenyl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18135934
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 120609034
N-[[3-(aminomethyl)phenyl]methyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80743611
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685725

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide (CID 78790869) is N-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide is CN(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1O.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide?
The InChIKey is KSQQQUQRDRISDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-19(12-13-5-4-7-15(18)11-13)17(21)10-9-14-6-2-3-8-16(14)20/h2-8,11,20H,9-10,12H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide?
N-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide has a molecular weight of 303.79 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 78790869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).