ethyl N-[4-[[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate

C18H19Cl2N3O3 — CID 60542560

IUPACethyl N-[4-[[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(C)C(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl2N3O3/c1-3-26-18(25)22-14-7-5-13(6-8-14)21-11(2)17(24)23-16-9-4-12(19)10-15(16)20/h4-11,21H,3H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyNTYJKJJVRBPYML-UHFFFAOYSA-N
MW396.27 g/mol
LogP5.00
Rot. Bonds6

About ethyl N-[4-[[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate

ethyl N-[4-[[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate (PubChem CID 60542560) has the molecular formula C18H19Cl2N3O3 and a molecular weight of 396.27 g/mol. Its IUPAC name is ethyl N-[4-[[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate
PubChem CID60542560
Molecular FormulaC18H19Cl2N3O3
Molecular Weight396.27 g/mol
Exact Mass395.08
IUPAC Nameethyl N-[4-[[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(C)C(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl2N3O3/c1-3-26-18(25)22-14-7-5-13(6-8-14)21-11(2)17(24)23-16-9-4-12(19)10-15(16)20/h4-11,21H,3H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyNTYJKJJVRBPYML-UHFFFAOYSA-N
XLogP5.00
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.27
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethyl N-[4-[[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]amino]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

ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 60542440
(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7928544
N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
CID 55351392
N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 51167752
(2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25348758
ethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate
CID 60542297
ethyl 2-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]sulfanylacetate
CID 8604540
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide
CID 7928705
ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate
CID 43703972
2-(2,4-dichloroanilino)-N-methylpropanamide
CID 18321698
2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide
CID 47018355
(2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide
CID 9431031

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate (CID 60542560) is ethyl N-[4-[[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate is CCOC(=O)Nc1ccc(NC(C)C(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of ethyl N-[4-[[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate?
The InChIKey is NTYJKJJVRBPYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3/c1-3-26-18(25)22-14-7-5-13(6-8-14)21-11(2)17(24)23-16-9-4-12(19)10-15(16)20/h4-11,21H,3H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of ethyl N-[4-[[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate?
ethyl N-[4-[[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate has a molecular weight of 396.27 g/mol, XLogP of 5.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate is sourced from PubChem (CID 60542560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).