4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide

C21H18ClN3O3 — CID 1150809

IUPAC4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc(C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C21H18ClN3O3/c22-17-5-9-19(10-6-17)28-14-20(26)25-18-7-3-16(4-8-18)21(27)24-13-15-2-1-11-23-12-15/h1-12H,13-14H2,(H,24,27)(H,25,26)
InChIKeySDVFGJJMZCWPCD-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.68
Rot. Bonds7

About 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide

4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 1150809) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID1150809
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc(C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C21H18ClN3O3/c22-17-5-9-19(10-6-17)28-14-20(26)25-18-7-3-16(4-8-18)21(27)24-13-15-2-1-11-23-12-15/h1-12H,13-14H2,(H,24,27)(H,25,26)
InChIKeySDVFGJJMZCWPCD-UHFFFAOYSA-N
XLogP3.68
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, N-[4-chloro-3-[(3-pyridinyloxy)methyl]phenyl]-3-fluoro-5-(4-morpholinyl)-
CID 656950
3-[2-(2,4-dichlorophenyl)ethoxy]-4-(methylamino)-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052309
4-amino-3-[2-(2,4-dichlorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052320
3-[2-(2,4-dichlorophenyl)ethoxy]-4-acetamido-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052326
Nlx204; nlx204
CID 132256735
2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-methoxy-3-pyridyl)acetamide
CID 9802880
2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-chloro-3-pyridyl)acetamide
CID 11546611
N-[3-amino-5-(3-pyridinyloxy)phenyl]-3-chlorobenzamide
CID 811100
Picafibrate
CID 68773
N-[4-(2-Chloro-benzyloxy)-phenyl]-nicotinamide
CID 803928
2-(4-benzoylphenoxy)-N-pyridin-3-ylacetamide
CID 2534340
2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 2572372

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide (CID 1150809) is 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide is O=C(COc1ccc(Cl)cc1)Nc1ccc(C(=O)NCc2cccnc2)cc1.
What is the InChIKey of 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is SDVFGJJMZCWPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c22-17-5-9-19(10-6-17)28-14-20(26)25-18-7-3-16(4-8-18)21(27)24-13-15-2-1-11-23-12-15/h1-12H,13-14H2,(H,24,27)(H,25,26).
What are the key properties of 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 395.85 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 1150809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).