N-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide

C21H26ClNO2 — CID 126588913

IUPACN-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(Cl)c1COc1cc(C)c(CC)cc1CC
InChIInChI=1S/C21H26ClNO2/c1-5-15-12-16(6-2)20(11-14(15)4)25-13-17-18(22)9-8-10-19(17)23-21(24)7-3/h8-12H,5-7,13H2,1-4H3,(H,23,24)
InChIKeyATZMZRXMMSORFL-UHFFFAOYSA-N
MW359.90 g/mol
LogP5.70
Rot. Bonds7

About N-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide

N-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide (PubChem CID 126588913) has the molecular formula C21H26ClNO2 and a molecular weight of 359.90 g/mol. Its IUPAC name is N-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide
PubChem CID126588913
Molecular FormulaC21H26ClNO2
Molecular Weight359.90 g/mol
Exact Mass359.17
IUPAC NameN-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(Cl)c1COc1cc(C)c(CC)cc1CC
InChIInChI=1S/C21H26ClNO2/c1-5-15-12-16(6-2)20(11-14(15)4)25-13-17-18(22)9-8-10-19(17)23-21(24)7-3/h8-12H,5-7,13H2,1-4H3,(H,23,24)
InChIKeyATZMZRXMMSORFL-UHFFFAOYSA-N
XLogP5.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.90
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-chloro-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]propanamide
CID 129038837
N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide
CID 126588973
N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide
CID 126588143
N-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide
CID 129038836
methyl N-[3-chloro-2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]phenyl]carbamate
CID 126588620
N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide
CID 126587753
fluoromethyl N-[3-chloro-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]carbamate
CID 126588118
N-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide
CID 129038589
S-methyl N-[3-chloro-2-[(4-ethyl-2-fluoro-5-methylphenoxy)methyl]phenyl]carbamothioate
CID 129054223
N-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide
CID 129038618
O-methyl N-[3-bromo-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]carbamothioate
CID 129049216
N-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-methylphenyl]propanamide
CID 126588428

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide?
The IUPAC name of N-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide (CID 126588913) is N-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide.
What is the SMILES notation for N-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide?
The canonical SMILES for N-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide is CCC(=O)Nc1cccc(Cl)c1COc1cc(C)c(CC)cc1CC.
What is the InChIKey of N-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide?
The InChIKey is ATZMZRXMMSORFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO2/c1-5-15-12-16(6-2)20(11-14(15)4)25-13-17-18(22)9-8-10-19(17)23-21(24)7-3/h8-12H,5-7,13H2,1-4H3,(H,23,24).
What are the key properties of N-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide?
N-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide has a molecular weight of 359.90 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide is sourced from PubChem (CID 126588913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).