3-(1,3-benzoxazol-2-yl)-N-[(2,4-dichlorophenyl)methyl]propanamide

C17H14Cl2N2O2 — CID 9427574

IUPAC3-(1,3-benzoxazol-2-yl)-N-[(2,4-dichlorophenyl)methyl]propanamide
SMILESO=C(CCc1nc2ccccc2o1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N2O2/c18-12-6-5-11(13(19)9-12)10-20-16(22)7-8-17-21-14-3-1-2-4-15(14)23-17/h1-6,9H,7-8,10H2,(H,20,22)
InChIKeyFOZQWPLAWTXGAL-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.38
Rot. Bonds5

About 3-(1,3-benzoxazol-2-yl)-N-[(2,4-dichlorophenyl)methyl]propanamide

3-(1,3-benzoxazol-2-yl)-N-[(2,4-dichlorophenyl)methyl]propanamide (PubChem CID 9427574) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-N-[(2,4-dichlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-N-[(2,4-dichlorophenyl)methyl]propanamide
PubChem CID9427574
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name3-(1,3-benzoxazol-2-yl)-N-[(2,4-dichlorophenyl)methyl]propanamide
SMILESO=C(CCc1nc2ccccc2o1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N2O2/c18-12-6-5-11(13(19)9-12)10-20-16(22)7-8-17-21-14-3-1-2-4-15(14)23-17/h1-6,9H,7-8,10H2,(H,20,22)
InChIKeyFOZQWPLAWTXGAL-UHFFFAOYSA-N
XLogP4.38
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86931665
N'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide
CID 9428049
N-[[3-(aminomethyl)phenyl]methyl]-3-(5-chloro-1,3-benzoxazol-2-yl)propanamide
CID 102328619
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide
CID 110711846
N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 2641033
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide
CID 18225429
N-[(2,4-dichlorophenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9082302
3-(1,3-benzoxazol-2-yl)propanoic acid
CID 2474218
3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide
CID 9403814
N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide
CID 2707271
3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 100510503
3-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 9427692

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-[(2,4-dichlorophenyl)methyl]propanamide?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-[(2,4-dichlorophenyl)methyl]propanamide (CID 9427574) is 3-(1,3-benzoxazol-2-yl)-N-[(2,4-dichlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N-[(2,4-dichlorophenyl)methyl]propanamide?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N-[(2,4-dichlorophenyl)methyl]propanamide is O=C(CCc1nc2ccccc2o1)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N-[(2,4-dichlorophenyl)methyl]propanamide?
The InChIKey is FOZQWPLAWTXGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c18-12-6-5-11(13(19)9-12)10-20-16(22)7-8-17-21-14-3-1-2-4-15(14)23-17/h1-6,9H,7-8,10H2,(H,20,22).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-N-[(2,4-dichlorophenyl)methyl]propanamide?
3-(1,3-benzoxazol-2-yl)-N-[(2,4-dichlorophenyl)methyl]propanamide has a molecular weight of 349.22 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-N-[(2,4-dichlorophenyl)methyl]propanamide is sourced from PubChem (CID 9427574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).