N-[(2,4-dichlorophenyl)methyl]-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide

C22H24Cl2N2O5 — CID 17436689

IUPACN-[(2,4-dichlorophenyl)methyl]-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESCCOc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C22H24Cl2N2O5/c1-2-30-20-11-15(22(28)25-13-16-3-5-17(23)12-18(16)24)4-6-19(20)31-14-21(27)26-7-9-29-10-8-26/h3-6,11-12H,2,7-10,13-14H2,1H3,(H,25,28)
InChIKeyDMQYBSUNPBIPHN-UHFFFAOYSA-N
MW467.35 g/mol
LogP3.56
Rot. Bonds8

About N-[(2,4-dichlorophenyl)methyl]-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide

N-[(2,4-dichlorophenyl)methyl]-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide (PubChem CID 17436689) has the molecular formula C22H24Cl2N2O5 and a molecular weight of 467.35 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
PubChem CID17436689
Molecular FormulaC22H24Cl2N2O5
Molecular Weight467.35 g/mol
Exact Mass466.11
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESCCOc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C22H24Cl2N2O5/c1-2-30-20-11-15(22(28)25-13-16-3-5-17(23)12-18(16)24)4-6-19(20)31-14-21(27)26-7-9-29-10-8-26/h3-6,11-12H,2,7-10,13-14H2,1H3,(H,25,28)
InChIKeyDMQYBSUNPBIPHN-UHFFFAOYSA-N
XLogP3.56
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 5169130
N-cyclopropyl-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 9165476
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 78931421
2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylethanone
CID 62074602
cyanomethyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 7969980
phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 18281736
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 31216633
3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55724935
2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 91689789
3,4-dichloro-N-[1-[(2Z)-2-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 6037597
2-[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
CID 97179268
4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-morpholin-4-ylbenzamide
CID 9113306

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide (CID 17436689) is N-[(2,4-dichlorophenyl)methyl]-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide is CCOc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The InChIKey is DMQYBSUNPBIPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O5/c1-2-30-20-11-15(22(28)25-13-16-3-5-17(23)12-18(16)24)4-6-19(20)31-14-21(27)26-7-9-29-10-8-26/h3-6,11-12H,2,7-10,13-14H2,1H3,(H,25,28).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
N-[(2,4-dichlorophenyl)methyl]-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide has a molecular weight of 467.35 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide is sourced from PubChem (CID 17436689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).