N-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide

C18H21ClN2O3 — CID 66541994

IUPACN-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide
SMILESCCOc1cc(CNc2ccc(NC(C)=O)cc2)c(Cl)cc1OC
InChIInChI=1S/C18H21ClN2O3/c1-4-24-18-9-13(16(19)10-17(18)23-3)11-20-14-5-7-15(8-6-14)21-12(2)22/h5-10,20H,4,11H2,1-3H3,(H,21,22)
InChIKeyBICIYOYOJLUNOZ-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.32
Rot. Bonds7

About N-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide

N-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide (PubChem CID 66541994) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide
PubChem CID66541994
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC NameN-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide
SMILESCCOc1cc(CNc2ccc(NC(C)=O)cc2)c(Cl)cc1OC
InChIInChI=1S/C18H21ClN2O3/c1-4-24-18-9-13(16(19)10-17(18)23-3)11-20-14-5-7-15(8-6-14)21-12(2)22/h5-10,20H,4,11H2,1-3H3,(H,21,22)
InChIKeyBICIYOYOJLUNOZ-UHFFFAOYSA-N
XLogP4.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide
CID 66540435
N-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide
CID 66542397
4-bromo-N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]aniline
CID 66541758
N-[4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]acetamide
CID 66540513
4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylamino]benzenesulfonamide
CID 66542237
ethyl 4-[(2-chloro-4,5-diethoxyphenyl)methylamino]benzoate
CID 66542035
3-chloro-N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-fluoroaniline
CID 66541958
N-[4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide
CID 66544585
N-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline
CID 66541803
N-[4-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide
CID 66540459
N-[4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-2-methylpropanamide
CID 66539785
2-[5-chloro-4-[(4-fluoroanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66542345

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide (CID 66541994) is N-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide is CCOc1cc(CNc2ccc(NC(C)=O)cc2)c(Cl)cc1OC.
What is the InChIKey of N-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide?
The InChIKey is BICIYOYOJLUNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-4-24-18-9-13(16(19)10-17(18)23-3)11-20-14-5-7-15(8-6-14)21-12(2)22/h5-10,20H,4,11H2,1-3H3,(H,21,22).
What are the key properties of N-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide?
N-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide has a molecular weight of 348.83 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 66541994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).