methyl N-[4-(2,3-dichloroanilino)phenyl]carbamate

C14H12Cl2N2O2 — CID 112989692

IUPACmethyl N-[4-(2,3-dichloroanilino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C14H12Cl2N2O2/c1-20-14(19)18-10-7-5-9(6-8-10)17-12-4-2-3-11(15)13(12)16/h2-8,17H,1H3,(H,18,19)
InChIKeyVNFRIETZLHDHOS-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.92
Rot. Bonds3

About methyl N-[4-(2,3-dichloroanilino)phenyl]carbamate

methyl N-[4-(2,3-dichloroanilino)phenyl]carbamate (PubChem CID 112989692) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is methyl N-[4-(2,3-dichloroanilino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(2,3-dichloroanilino)phenyl]carbamate
PubChem CID112989692
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Namemethyl N-[4-(2,3-dichloroanilino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C14H12Cl2N2O2/c1-20-14(19)18-10-7-5-9(6-8-10)17-12-4-2-3-11(15)13(12)16/h2-8,17H,1H3,(H,18,19)
InChIKeyVNFRIETZLHDHOS-UHFFFAOYSA-N
XLogP4.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide
CID 112989688
4-N-(2,3-dichlorophenyl)benzene-1,4-diamine
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methyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate
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methyl N-[4-(quinolin-8-ylamino)phenyl]carbamate
CID 112989327
methyl N-[4-[3-(2,6-dichlorophenyl)prop-2-enoylamino]phenyl]carbamate
CID 55804764
2,3-dichloro-N-(4-phenylphenyl)aniline
CID 162720595
N-[4-(2,6-dichloroanilino)phenyl]acetamide
CID 112989665
N-[5-(2,3-dichloroanilino)-2-pyridinyl]-2-methoxybenzamide
CID 113036860
2,3-dichloro-N-(2-methoxyphenyl)aniline
CID 82537063
N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54816111
1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea
CID 113036867
1-N'-(2,3-dichlorophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983092

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(2,3-dichloroanilino)phenyl]carbamate?
The IUPAC name of methyl N-[4-(2,3-dichloroanilino)phenyl]carbamate (CID 112989692) is methyl N-[4-(2,3-dichloroanilino)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(2,3-dichloroanilino)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(2,3-dichloroanilino)phenyl]carbamate is COC(=O)Nc1ccc(Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of methyl N-[4-(2,3-dichloroanilino)phenyl]carbamate?
The InChIKey is VNFRIETZLHDHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-20-14(19)18-10-7-5-9(6-8-10)17-12-4-2-3-11(15)13(12)16/h2-8,17H,1H3,(H,18,19).
What are the key properties of methyl N-[4-(2,3-dichloroanilino)phenyl]carbamate?
methyl N-[4-(2,3-dichloroanilino)phenyl]carbamate has a molecular weight of 311.17 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(2,3-dichloroanilino)phenyl]carbamate is sourced from PubChem (CID 112989692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).