ethyl N-[4-[[2-(2,5-dichloroanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate

C18H17Cl2N3O4 — CID 9152510

IUPACethyl N-[4-[[2-(2,5-dichloroanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H17Cl2N3O4/c1-2-27-18(26)22-13-6-3-11(4-7-13)17(25)21-10-16(24)23-15-9-12(19)5-8-14(15)20/h3-9H,2,10H2,1H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyLJSFHVXUUPFJBP-UHFFFAOYSA-N
MW410.26 g/mol
LogP3.93
Rot. Bonds6

About ethyl N-[4-[[2-(2,5-dichloroanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate

ethyl N-[4-[[2-(2,5-dichloroanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate (PubChem CID 9152510) has the molecular formula C18H17Cl2N3O4 and a molecular weight of 410.26 g/mol. Its IUPAC name is ethyl N-[4-[[2-(2,5-dichloroanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[2-(2,5-dichloroanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate
PubChem CID9152510
Molecular FormulaC18H17Cl2N3O4
Molecular Weight410.26 g/mol
Exact Mass409.06
IUPAC Nameethyl N-[4-[[2-(2,5-dichloroanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H17Cl2N3O4/c1-2-27-18(26)22-13-6-3-11(4-7-13)17(25)21-10-16(24)23-15-9-12(19)5-8-14(15)20/h3-9H,2,10H2,1H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyLJSFHVXUUPFJBP-UHFFFAOYSA-N
XLogP3.93
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethyl N-[4-[[2-(2,5-dichloroanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide
CID 9440425
methyl 4-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 9083030
4-[(2,5-dichlorophenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062389
ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate
CID 13021625
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-ethylbutanamide
CID 47097189
methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
CID 110666935
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-methyl-4-nitrobenzamide
CID 4783926
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
CID 47097183
N-tert-butyl-4-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
CID 54819548
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 26893607
methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate
CID 46828283

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[2-(2,5-dichloroanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[2-(2,5-dichloroanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate (CID 9152510) is ethyl N-[4-[[2-(2,5-dichloroanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[2-(2,5-dichloroanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[2-(2,5-dichloroanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate is CCOC(=O)Nc1ccc(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of ethyl N-[4-[[2-(2,5-dichloroanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate?
The InChIKey is LJSFHVXUUPFJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O4/c1-2-27-18(26)22-13-6-3-11(4-7-13)17(25)21-10-16(24)23-15-9-12(19)5-8-14(15)20/h3-9H,2,10H2,1H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of ethyl N-[4-[[2-(2,5-dichloroanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate?
ethyl N-[4-[[2-(2,5-dichloroanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate has a molecular weight of 410.26 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[2-(2,5-dichloroanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 9152510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).