2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide

C17H14Cl2N2O2 — CID 51217461

IUPAC2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1noc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N2O2/c1-10(12-7-6-11(18)8-14(12)19)20-17(22)9-15-13-4-2-3-5-16(13)23-21-15/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyUUYCWFQPSPUALI-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.55
Rot. Bonds4

About 2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide (PubChem CID 51217461) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
PubChem CID51217461
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1noc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N2O2/c1-10(12-7-6-11(18)8-14(12)19)20-17(22)9-15-13-4-2-3-5-16(13)23-21-15/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyUUYCWFQPSPUALI-UHFFFAOYSA-N
XLogP4.55
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]acetamide
CID 9187304
2-(1,2-benzoxazol-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 84948325
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(2-bromophenyl)ethyl]acetamide
CID 9152218
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647246
2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 18203969
2-(1,2-benzoxazol-3-yl)-N-(2-bromo-5-chlorophenyl)acetamide
CID 81260654
2-(1,2-benzoxazol-3-yl)-N-[2-(3-chlorophenoxy)ethyl]acetamide
CID 47036473
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
CID 97088982
N'-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-[(1R)-1-phenylethyl]butanediamide
CID 97088981
(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-fluoro-4-methylphenyl)propanamide
CID 95202272
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(N-methylanilino)acetamide
CID 8689218

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide (CID 51217461) is 2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide is CC(NC(=O)Cc1noc2ccccc12)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide?
The InChIKey is UUYCWFQPSPUALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-10(12-7-6-11(18)8-14(12)19)20-17(22)9-15-13-4-2-3-5-16(13)23-21-15/h2-8,10H,9H2,1H3,(H,20,22).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide has a molecular weight of 349.22 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide is sourced from PubChem (CID 51217461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).