ethyl N-[4-chloro-2-(3-chloroanilino)phenyl]carbamate

C15H14Cl2N2O2 — CID 12930188

IUPACethyl N-[4-chloro-2-(3-chloroanilino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Cl)cc1Nc1cccc(Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-2-21-15(20)19-13-7-6-11(17)9-14(13)18-12-5-3-4-10(16)8-12/h3-9,18H,2H2,1H3,(H,19,20)
InChIKeyNNHINJURQJUAQH-UHFFFAOYSA-N
MW325.20 g/mol
LogP5.31
Rot. Bonds4

About ethyl N-[4-chloro-2-(3-chloroanilino)phenyl]carbamate

ethyl N-[4-chloro-2-(3-chloroanilino)phenyl]carbamate (PubChem CID 12930188) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is ethyl N-[4-chloro-2-(3-chloroanilino)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-chloro-2-(3-chloroanilino)phenyl]carbamate
PubChem CID12930188
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Nameethyl N-[4-chloro-2-(3-chloroanilino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Cl)cc1Nc1cccc(Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-2-21-15(20)19-13-7-6-11(17)9-14(13)18-12-5-3-4-10(16)8-12/h3-9,18H,2H2,1H3,(H,19,20)
InChIKeyNNHINJURQJUAQH-UHFFFAOYSA-N
XLogP5.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.20
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-chloroanilino)benzoate
CID 70679381
ethyl N-(5-chloro-2-iodophenyl)carbamate
CID 22490681
ethyl 3-amino-4-(3-chloroanilino)benzoate
CID 61307975
ethyl N-(2-anilinophenyl)carbamate
CID 12930175
ethyl N-[(3-chlorophenyl)carbamoylamino]carbamate
CID 5227471
ethyl N-(2-anilino-4-methoxyphenyl)carbamate
CID 12930176
ethyl 3-(3-chloroanilino)benzoate
CID 82535753
ethyl 3-(3-chloroanilino)-1H-pyrrole-2-carboxylate
CID 67068489
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
dimethyl 2-[[4-chloro-2-(ethoxycarbonylamino)phenyl]-hydroxymethylidene]propanedioate
CID 100974539
ethyl 2-(3-chloroanilino)prop-2-enoate
CID 150837034
ethyl 6-chloro-4-(3-chloroanilino)quinoline-2-carboxylate
CID 46507263

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-chloro-2-(3-chloroanilino)phenyl]carbamate?
The IUPAC name of ethyl N-[4-chloro-2-(3-chloroanilino)phenyl]carbamate (CID 12930188) is ethyl N-[4-chloro-2-(3-chloroanilino)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-chloro-2-(3-chloroanilino)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-chloro-2-(3-chloroanilino)phenyl]carbamate is CCOC(=O)Nc1ccc(Cl)cc1Nc1cccc(Cl)c1.
What is the InChIKey of ethyl N-[4-chloro-2-(3-chloroanilino)phenyl]carbamate?
The InChIKey is NNHINJURQJUAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-2-21-15(20)19-13-7-6-11(17)9-14(13)18-12-5-3-4-10(16)8-12/h3-9,18H,2H2,1H3,(H,19,20).
What are the key properties of ethyl N-[4-chloro-2-(3-chloroanilino)phenyl]carbamate?
ethyl N-[4-chloro-2-(3-chloroanilino)phenyl]carbamate has a molecular weight of 325.20 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-chloro-2-(3-chloroanilino)phenyl]carbamate is sourced from PubChem (CID 12930188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).