N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide

C21H21Cl2N3O4 — CID 31185431

IUPACN-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C21H21Cl2N3O4/c1-2-10-25(13-19(27)24-16-8-7-14(22)12-15(16)23)20(28)9-11-26-17-5-3-4-6-18(17)30-21(26)29/h3-8,12H,2,9-11,13H2,1H3,(H,24,27)
InChIKeyVCWBGMJUAKNSMM-UHFFFAOYSA-N
MW450.32 g/mol
LogP4.17
Rot. Bonds8

About N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide

N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide (PubChem CID 31185431) has the molecular formula C21H21Cl2N3O4 and a molecular weight of 450.32 g/mol. Its IUPAC name is N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide
PubChem CID31185431
Molecular FormulaC21H21Cl2N3O4
Molecular Weight450.32 g/mol
Exact Mass449.09
IUPAC NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C21H21Cl2N3O4/c1-2-10-25(13-19(27)24-16-8-7-14(22)12-15(16)23)20(28)9-11-26-17-5-3-4-6-18(17)30-21(26)29/h3-8,12H,2,9-11,13H2,1H3,(H,24,27)
InChIKeyVCWBGMJUAKNSMM-UHFFFAOYSA-N
XLogP4.17
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide with MolForge

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Related Compounds

N-(2-acetamido-5-chlorophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 47086338
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide
CID 31185170
N-ethyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 16561398
N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide
CID 25162663
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide
CID 55755026
N-[5-chloro-2-(4-methylphenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16561188
2-(cyclopropylmethylamino)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylacetamide
CID 119683191
N-(2,4-dichlorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-propylamino]acetamide
CID 55369827
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]amino]acetamide
CID 8005781
(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide
CID 119267913
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylhexanamide
CID 55328661
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide
CID 31185288

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide?
The IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide (CID 31185431) is N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide.
What is the SMILES notation for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide?
The canonical SMILES for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide?
The InChIKey is VCWBGMJUAKNSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O4/c1-2-10-25(13-19(27)24-16-8-7-14(22)12-15(16)23)20(28)9-11-26-17-5-3-4-6-18(17)30-21(26)29/h3-8,12H,2,9-11,13H2,1H3,(H,24,27).
What are the key properties of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide?
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide has a molecular weight of 450.32 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide is sourced from PubChem (CID 31185431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).