2-(4-chlorophenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide

C23H17ClN2O4 — CID 17359912

IUPAC2-(4-chlorophenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C23H17ClN2O4/c1-14(29-18-12-8-16(24)9-13-18)21(27)25-17-10-6-15(7-11-17)22-26-20-5-3-2-4-19(20)23(28)30-22/h2-14H,1H3,(H,25,27)
InChIKeyGWSBEAAGEZRDNQ-UHFFFAOYSA-N
MW420.85 g/mol
LogP4.91
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide

2-(4-chlorophenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide (PubChem CID 17359912) has the molecular formula C23H17ClN2O4 and a molecular weight of 420.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide
PubChem CID17359912
Molecular FormulaC23H17ClN2O4
Molecular Weight420.85 g/mol
Exact Mass420.09
IUPAC Name2-(4-chlorophenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C23H17ClN2O4/c1-14(29-18-12-8-16(24)9-13-18)21(27)25-17-10-6-15(7-11-17)22-26-20-5-3-2-4-19(20)23(28)30-22/h2-14H,1H3,(H,25,27)
InChIKeyGWSBEAAGEZRDNQ-UHFFFAOYSA-N
XLogP4.91
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.85
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1098892
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide
CID 9323078
2-(4-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide
CID 17359055
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide
CID 17359918
2-(4-methoxyphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 17171857
(2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide
CID 7374034
2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259636
N-(4-chlorophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 78502401
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2200168
(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide
CID 92869531
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide (CID 17359912) is 2-(4-chlorophenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide is CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide?
The InChIKey is GWSBEAAGEZRDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O4/c1-14(29-18-12-8-16(24)9-13-18)21(27)25-17-10-6-15(7-11-17)22-26-20-5-3-2-4-19(20)23(28)30-22/h2-14H,1H3,(H,25,27).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide?
2-(4-chlorophenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide has a molecular weight of 420.85 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide is sourced from PubChem (CID 17359912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).