N-(3-chlorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide

C23H21ClN2O4 — CID 162640903

IUPACN-(3-chlorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
SMILESCOc1ccc(CNC(=O)COc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C23H21ClN2O4/c1-29-20-9-5-16(6-10-20)14-25-22(27)15-30-21-11-7-17(8-12-21)23(28)26-19-4-2-3-18(24)13-19/h2-13H,14-15H2,1H3,(H,25,27)(H,26,28)
InChIKeyKLMRBTGADQYWHD-UHFFFAOYSA-N
MW424.88 g/mol
LogP4.30
Rot. Bonds8

About N-(3-chlorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide

N-(3-chlorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide (PubChem CID 162640903) has the molecular formula C23H21ClN2O4 and a molecular weight of 424.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
PubChem CID162640903
Molecular FormulaC23H21ClN2O4
Molecular Weight424.88 g/mol
Exact Mass424.12
IUPAC NameN-(3-chlorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
SMILESCOc1ccc(CNC(=O)COc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C23H21ClN2O4/c1-29-20-9-5-16(6-10-20)14-25-22(27)15-30-21-11-7-17(8-12-21)23(28)26-19-4-2-3-18(24)13-19/h2-13H,14-15H2,1H3,(H,25,27)(H,26,28)
InChIKeyKLMRBTGADQYWHD-UHFFFAOYSA-N
XLogP4.30
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 27838613
N-[3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]phenyl]benzamide
CID 78883909
N-(3-chlorophenyl)-5-[[[2-(4-methoxyphenoxy)acetyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 53099856
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55589061
methyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate
CID 7688183
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
2-(4-acetylphenoxy)-N-(3-chlorophenyl)acetamide
CID 2709970
N-(3-chlorophenyl)-4-propoxybenzamide
CID 4938336
[3-[[4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928317
N-(3-chlorophenyl)-5-[4-[(4-methoxyphenyl)methylamino]-4-oxobutyl]-1,3,4-thiadiazole-2-carboxamide
CID 46320220
N-(3-chlorophenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652748

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide?
The IUPAC name of N-(3-chlorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide (CID 162640903) is N-(3-chlorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide is COc1ccc(CNC(=O)COc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide?
The InChIKey is KLMRBTGADQYWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4/c1-29-20-9-5-16(6-10-20)14-25-22(27)15-30-21-11-7-17(8-12-21)23(28)26-19-4-2-3-18(24)13-19/h2-13H,14-15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(3-chlorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide?
N-(3-chlorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide has a molecular weight of 424.88 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 162640903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).