2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide

C18H17ClN2O2 — CID 110707532

IUPAC2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
SMILESCc1nc2cc(CCNC(=O)Cc3ccccc3Cl)ccc2o1
InChIInChI=1S/C18H17ClN2O2/c1-12-21-16-10-13(6-7-17(16)23-12)8-9-20-18(22)11-14-4-2-3-5-15(14)19/h2-7,10H,8-9,11H2,1H3,(H,20,22)
InChIKeyMDHNDPIOIIUWQG-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.69
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide

2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide (PubChem CID 110707532) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
PubChem CID110707532
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
SMILESCc1nc2cc(CCNC(=O)Cc3ccccc3Cl)ccc2o1
InChIInChI=1S/C18H17ClN2O2/c1-12-21-16-10-13(6-7-17(16)23-12)8-9-20-18(22)11-14-4-2-3-5-15(14)19/h2-7,10H,8-9,11H2,1H3,(H,20,22)
InChIKeyMDHNDPIOIIUWQG-UHFFFAOYSA-N
XLogP3.69
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide
CID 110786404
3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 110707517
N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide
CID 110707496
N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110707465
3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115173969
N-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390579
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide
CID 110773848
N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390561
2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 110791067
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791037
2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 110791108
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110773812

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide (CID 110707532) is 2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide is Cc1nc2cc(CCNC(=O)Cc3ccccc3Cl)ccc2o1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide?
The InChIKey is MDHNDPIOIIUWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-12-21-16-10-13(6-7-17(16)23-12)8-9-20-18(22)11-14-4-2-3-5-15(14)19/h2-7,10H,8-9,11H2,1H3,(H,20,22).
What are the key properties of 2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide?
2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide has a molecular weight of 328.80 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 110707532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).