5-[1-(2,4-dichlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one

C15H12Cl2N2O2 — CID 43741578

IUPAC5-[1-(2,4-dichlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one
SMILESCC(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O2/c1-8(11-4-2-9(16)6-12(11)17)18-10-3-5-14-13(7-10)19-15(20)21-14/h2-8,18H,1H3,(H,19,20)
InChIKeyNWPXFZSQHRZKQN-UHFFFAOYSA-N
MW323.18 g/mol
LogP4.60
Rot. Bonds3

About 5-[1-(2,4-dichlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one

5-[1-(2,4-dichlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one (PubChem CID 43741578) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is 5-[1-(2,4-dichlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[1-(2,4-dichlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one
PubChem CID43741578
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC Name5-[1-(2,4-dichlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one
SMILESCC(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O2/c1-8(11-4-2-9(16)6-12(11)17)18-10-3-5-14-13(7-10)19-15(20)21-14/h2-8,18H,1H3,(H,19,20)
InChIKeyNWPXFZSQHRZKQN-UHFFFAOYSA-N
XLogP4.60
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(2-chlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one
CID 43741517
5-(2,4-dimethylpentan-3-ylamino)-3H-1,3-benzoxazol-2-one
CID 112743200
4-[1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzonitrile
CID 43741551
2-(2,4-dichlorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37091055
5-[1-(5-fluoro-2-pyridinyl)ethylamino]-3H-1,3-benzoxazol-2-one
CID 83118011
N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43102770
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-4-nitroaniline
CID 82865314
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one
CID 43766489
(2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(1R)-1-phenylethyl]propanamide
CID 95307128
5-[1-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzamide
CID 43705401
N-[1-(2,4-dichlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732776

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-dichlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[1-(2,4-dichlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one (CID 43741578) is 5-[1-(2,4-dichlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[1-(2,4-dichlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[1-(2,4-dichlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one is CC(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-[1-(2,4-dichlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one?
The InChIKey is NWPXFZSQHRZKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c1-8(11-4-2-9(16)6-12(11)17)18-10-3-5-14-13(7-10)19-15(20)21-14/h2-8,18H,1H3,(H,19,20).
What are the key properties of 5-[1-(2,4-dichlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one?
5-[1-(2,4-dichlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one has a molecular weight of 323.18 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-dichlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 43741578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).