N-(2-acetamido-5-chlorophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C18H16ClN3O4 — CID 47086338

IUPACN-(2-acetamido-5-chlorophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC(=O)Nc1ccc(Cl)cc1NC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C18H16ClN3O4/c1-11(23)20-13-7-6-12(19)10-14(13)21-17(24)8-9-22-15-4-2-3-5-16(15)26-18(22)25/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,24)
InChIKeyGVBLHPQSUQSARP-UHFFFAOYSA-N
MW373.80 g/mol
LogP3.24
Rot. Bonds5

About N-(2-acetamido-5-chlorophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-(2-acetamido-5-chlorophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 47086338) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is N-(2-acetamido-5-chlorophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-acetamido-5-chlorophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID47086338
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC NameN-(2-acetamido-5-chlorophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC(=O)Nc1ccc(Cl)cc1NC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C18H16ClN3O4/c1-11(23)20-13-7-6-12(19)10-14(13)21-17(24)8-9-22-15-4-2-3-5-16(15)26-18(22)25/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,24)
InChIKeyGVBLHPQSUQSARP-UHFFFAOYSA-N
XLogP3.24
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(4-methylphenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16561188
N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3163772
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide
CID 31185431
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-oxo-1H-pyridin-3-yl)propanamide
CID 51101208
N-(3-chloro-4-methoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7580962
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide
CID 9154506
N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7992559
N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42370403
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400342
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55504169
N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 82344583

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-chlorophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(2-acetamido-5-chlorophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 47086338) is N-(2-acetamido-5-chlorophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(2-acetamido-5-chlorophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(2-acetamido-5-chlorophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CC(=O)Nc1ccc(Cl)cc1NC(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of N-(2-acetamido-5-chlorophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is GVBLHPQSUQSARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c1-11(23)20-13-7-6-12(19)10-14(13)21-17(24)8-9-22-15-4-2-3-5-16(15)26-18(22)25/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(2-acetamido-5-chlorophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(2-acetamido-5-chlorophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 373.80 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-chlorophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 47086338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).