N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide

C18H20ClNO2 — CID 129039598

IUPACN-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)cc1COc1ccc(C)cc1C
InChIInChI=1S/C18H20ClNO2/c1-4-18(21)20-16-7-6-15(19)10-14(16)11-22-17-8-5-12(2)9-13(17)3/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyRRNGUKGOCBBCNN-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.88
Rot. Bonds5

About N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide

N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide (PubChem CID 129039598) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
PubChem CID129039598
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)cc1COc1ccc(C)cc1C
InChIInChI=1S/C18H20ClNO2/c1-4-18(21)20-16-7-6-15(19)10-14(16)11-22-17-8-5-12(2)9-13(17)3/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyRRNGUKGOCBBCNN-UHFFFAOYSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
CID 129039431
N-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide
CID 129039617
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide
CID 126587630
N-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanethioamide
CID 126589418
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide
CID 126588569
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate
CID 129039328
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide
CID 126588571
N-[5-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide;N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-5-ethenylphenyl]propanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-5-fluorophenyl]propanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]propanamide
CID 158734372
N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 38300862
N-[2-(aminomethyl)-4-chlorophenyl]propanamide
CID 66877518
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 1019246

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide?
The IUPAC name of N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide (CID 129039598) is N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide.
What is the SMILES notation for N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide?
The canonical SMILES for N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide is CCC(=O)Nc1ccc(Cl)cc1COc1ccc(C)cc1C.
What is the InChIKey of N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide?
The InChIKey is RRNGUKGOCBBCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-4-18(21)20-16-7-6-15(19)10-14(16)11-22-17-8-5-12(2)9-13(17)3/h5-10H,4,11H2,1-3H3,(H,20,21).
What are the key properties of N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide?
N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide has a molecular weight of 317.82 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide is sourced from PubChem (CID 129039598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).