3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide

C18H17Cl3N2O3 — CID 4029398

IUPAC3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1Cl
InChIInChI=1S/C18H17Cl3N2O3/c1-25-17-13(20)9-11(10-14(17)21)18(24)22-15-4-2-3-12(19)16(15)23-5-7-26-8-6-23/h2-4,9-10H,5-8H2,1H3,(H,22,24)
InChIKeyBKILNLIEZFVWSD-UHFFFAOYSA-N
MW415.70 g/mol
LogP4.74
Rot. Bonds4

About 3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide

3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide (PubChem CID 4029398) has the molecular formula C18H17Cl3N2O3 and a molecular weight of 415.70 g/mol. Its IUPAC name is 3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide
PubChem CID4029398
Molecular FormulaC18H17Cl3N2O3
Molecular Weight415.70 g/mol
Exact Mass414.03
IUPAC Name3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1Cl
InChIInChI=1S/C18H17Cl3N2O3/c1-25-17-13(20)9-11(10-14(17)21)18(24)22-15-4-2-3-12(19)16(15)23-5-7-26-8-6-23/h2-4,9-10H,5-8H2,1H3,(H,22,24)
InChIKeyBKILNLIEZFVWSD-UHFFFAOYSA-N
XLogP4.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.70
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)benzamide
CID 3478748
3-chloro-N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-4-methoxybenzamide
CID 3384413
methyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate
CID 17336629
N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35192310
2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide
CID 3968174
N-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 30461617
N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 24614283
6-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 118984847
N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 952438
dimethyl (E)-2-(3-chloro-2-morpholin-4-ylanilino)but-2-enedioate
CID 168568994
N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 131960632
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide
CID 1254482

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide (CID 4029398) is 3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide is COc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide?
The InChIKey is BKILNLIEZFVWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O3/c1-25-17-13(20)9-11(10-14(17)21)18(24)22-15-4-2-3-12(19)16(15)23-5-7-26-8-6-23/h2-4,9-10H,5-8H2,1H3,(H,22,24).
What are the key properties of 3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide?
3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide has a molecular weight of 415.70 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 4029398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).