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

C24H25ClN2O3 — CID 66542397

IUPACN-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide
SMILESCCOc1cc(CNc2ccc(NC(C)=O)cc2)c(Cl)cc1OCc1ccccc1
InChIInChI=1S/C24H25ClN2O3/c1-3-29-23-13-19(15-26-20-9-11-21(12-10-20)27-17(2)28)22(25)14-24(23)30-16-18-7-5-4-6-8-18/h4-14,26H,3,15-16H2,1-2H3,(H,27,28)
InChIKeyPXCCNCUXDWHCKU-UHFFFAOYSA-N
MW424.93 g/mol
LogP5.89
Rot. Bonds9

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

N-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide (PubChem CID 66542397) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is N-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide
PubChem CID66542397
Molecular FormulaC24H25ClN2O3
Molecular Weight424.93 g/mol
Exact Mass424.16
IUPAC NameN-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide
SMILESCCOc1cc(CNc2ccc(NC(C)=O)cc2)c(Cl)cc1OCc1ccccc1
InChIInChI=1S/C24H25ClN2O3/c1-3-29-23-13-19(15-26-20-9-11-21(12-10-20)27-17(2)28)22(25)14-24(23)30-16-18-7-5-4-6-8-18/h4-14,26H,3,15-16H2,1-2H3,(H,27,28)
InChIKeyPXCCNCUXDWHCKU-UHFFFAOYSA-N
XLogP5.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.93
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]benzoic acid
CID 66542477
N-[4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]acetamide
CID 66540513
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-4-fluoroaniline
CID 66542323
N-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide
CID 66541994
2-chloro-4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]benzoic acid
CID 66542751
N-[4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-2-methylpropanamide
CID 66539785
N-[4-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]acetamide
CID 66542049
N-[4-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide
CID 66540459
N-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline
CID 66541803
N-[3-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-3-methylbutanamide
CID 66542672
N-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide
CID 66540435
1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386421

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide (CID 66542397) is N-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide is CCOc1cc(CNc2ccc(NC(C)=O)cc2)c(Cl)cc1OCc1ccccc1.
What is the InChIKey of N-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide?
The InChIKey is PXCCNCUXDWHCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c1-3-29-23-13-19(15-26-20-9-11-21(12-10-20)27-17(2)28)22(25)14-24(23)30-16-18-7-5-4-6-8-18/h4-14,26H,3,15-16H2,1-2H3,(H,27,28).
What are the key properties of N-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide?
N-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide has a molecular weight of 424.93 g/mol, XLogP of 5.89, 9 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-phenylmethoxyphenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 66542397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).