N-[(2-chlorophenyl)methyl]-3-(2,3-dimethylphenoxy)propanamide

C18H20ClNO2 — CID 31885031

IUPACN-[(2-chlorophenyl)methyl]-3-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCc2ccccc2Cl)c1C
InChIInChI=1S/C18H20ClNO2/c1-13-6-5-9-17(14(13)2)22-11-10-18(21)20-12-15-7-3-4-8-16(15)19/h3-9H,10-12H2,1-2H3,(H,20,21)
InChIKeyMSELCZBARCVZKE-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.04
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-(2,3-dimethylphenoxy)propanamide

N-[(2-chlorophenyl)methyl]-3-(2,3-dimethylphenoxy)propanamide (PubChem CID 31885031) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(2,3-dimethylphenoxy)propanamide
PubChem CID31885031
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCc2ccccc2Cl)c1C
InChIInChI=1S/C18H20ClNO2/c1-13-6-5-9-17(14(13)2)22-11-10-18(21)20-12-15-7-3-4-8-16(15)19/h3-9H,10-12H2,1-2H3,(H,20,21)
InChIKeyMSELCZBARCVZKE-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-(2-methylphenoxy)propanamide
CID 7973168
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
N-[(2-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)propanediamide
CID 108946597
N-[(2-chlorophenyl)methyl]-2-(2,3-dimethylanilino)acetamide
CID 26416416
1-[2-(2-chlorophenyl)ethyl]-3-[(2,3-dimethylphenoxy)methyl]urea
CID 108878554
3-[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-methylamino]propanoic acid
CID 119912081
3-(2,3-dimethylphenoxy)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55595653
N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide
CID 19190988
N-(3,3-difluoro-2-hydroxypropyl)-3-(2,3-dimethylphenoxy)propanamide
CID 103770508
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
N-[(2-chlorophenyl)methyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2602916
N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978021

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(2,3-dimethylphenoxy)propanamide (CID 31885031) is N-[(2-chlorophenyl)methyl]-3-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(2,3-dimethylphenoxy)propanamide is Cc1cccc(OCCC(=O)NCc2ccccc2Cl)c1C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(2,3-dimethylphenoxy)propanamide?
The InChIKey is MSELCZBARCVZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-13-6-5-9-17(14(13)2)22-11-10-18(21)20-12-15-7-3-4-8-16(15)19/h3-9H,10-12H2,1-2H3,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(2,3-dimethylphenoxy)propanamide?
N-[(2-chlorophenyl)methyl]-3-(2,3-dimethylphenoxy)propanamide has a molecular weight of 317.82 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 31885031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).