3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide

C17H18ClNO2 — CID 50874611

IUPAC3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
SMILESCc1ccccc1OCC(C)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-12-6-3-4-9-16(12)21-11-13(2)19-17(20)14-7-5-8-15(18)10-14/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyOHPVVFIOHVJLDB-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.85
Rot. Bonds5

About 3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide

3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide (PubChem CID 50874611) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
PubChem CID50874611
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
SMILESCc1ccccc1OCC(C)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-12-6-3-4-9-16(12)21-11-13(2)19-17(20)14-7-5-8-15(18)10-14/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyOHPVVFIOHVJLDB-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 133199387
N-[(2S)-1-(2-methylphenoxy)propan-2-yl]-3-nitrobenzamide
CID 94623549
4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 95161875
2-(3-chlorophenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
CID 132652826
3-(dimethylsulfamoyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 94623465
2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 100614435
N-[(2S)-1-(2-methylphenoxy)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 94623525
1-(3-chlorophenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea
CID 95045497
(E)-3-(2,4-dichlorophenyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]prop-2-enamide
CID 99996229
3-chloro-N-propan-2-ylbenzamide
CID 669184
3-chloro-N-(5-chloropentan-2-yl)benzamide
CID 114305976
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide
CID 139460648

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide (CID 50874611) is 3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide is Cc1ccccc1OCC(C)NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide?
The InChIKey is OHPVVFIOHVJLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12-6-3-4-9-16(12)21-11-13(2)19-17(20)14-7-5-8-15(18)10-14/h3-10,13H,11H2,1-2H3,(H,19,20).
What are the key properties of 3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide?
3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide has a molecular weight of 303.79 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide is sourced from PubChem (CID 50874611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).