ethyl N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate

C19H19Cl2N3O4 — CID 31183062

IUPACethyl N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H19Cl2N3O4/c1-3-28-19(27)23-13-6-4-12(5-7-13)18(26)24(2)11-17(25)22-14-8-9-15(20)16(21)10-14/h4-10H,3,11H2,1-2H3,(H,22,25)(H,23,27)
InChIKeySQSKEZQPAZDVHN-UHFFFAOYSA-N
MW424.28 g/mol
LogP4.27
Rot. Bonds6

About ethyl N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate

ethyl N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate (PubChem CID 31183062) has the molecular formula C19H19Cl2N3O4 and a molecular weight of 424.28 g/mol. Its IUPAC name is ethyl N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate
PubChem CID31183062
Molecular FormulaC19H19Cl2N3O4
Molecular Weight424.28 g/mol
Exact Mass423.08
IUPAC Nameethyl N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H19Cl2N3O4/c1-3-28-19(27)23-13-6-4-12(5-7-13)18(26)24(2)11-17(25)22-14-8-9-15(20)16(21)10-14/h4-10H,3,11H2,1-2H3,(H,22,25)(H,23,27)
InChIKeySQSKEZQPAZDVHN-UHFFFAOYSA-N
XLogP4.27
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.28
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate with MolForge

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Related Compounds

4-(carbamoylamino)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 30091289
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide
CID 31182819
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-methylsulfonylbenzamide
CID 9418661
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40604160
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 18112252
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 7718955
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,4-dimethyl-3-nitrobenzamide
CID 9418656
2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
CID 27869715
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 31182814
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-1,3-thiazole-5-carboxamide
CID 47084300
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-ethyl-N-methylbutanamide
CID 112791638

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate (CID 31183062) is ethyl N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate is CCOC(=O)Nc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of ethyl N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate?
The InChIKey is SQSKEZQPAZDVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O4/c1-3-28-19(27)23-13-6-4-12(5-7-13)18(26)24(2)11-17(25)22-14-8-9-15(20)16(21)10-14/h4-10H,3,11H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of ethyl N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate?
ethyl N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate has a molecular weight of 424.28 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 31183062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).