[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid

C9H8Cl2N2O3 — CID 71381636

IUPAC[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid
SMILESO=C(O)NCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl2N2O3/c10-6-2-1-5(3-7(6)11)13-8(14)4-12-9(15)16/h1-3,12H,4H2,(H,13,14)(H,15,16)
InChIKeySAEYITBSOFMDAT-UHFFFAOYSA-N
MW263.08 g/mol
LogP2.20
Rot. Bonds3

About [2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid

[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid (PubChem CID 71381636) has the molecular formula C9H8Cl2N2O3 and a molecular weight of 263.08 g/mol. Its IUPAC name is [2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid
PubChem CID71381636
Molecular FormulaC9H8Cl2N2O3
Molecular Weight263.08 g/mol
Exact Mass261.99
IUPAC Name[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid
SMILESO=C(O)NCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl2N2O3/c10-6-2-1-5(3-7(6)11)13-8(14)4-12-9(15)16/h1-3,12H,4H2,(H,13,14)(H,15,16)
InChIKeySAEYITBSOFMDAT-UHFFFAOYSA-N
XLogP2.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide
CID 9411490
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54810250
N-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358474
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411502
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
N-(4-chlorophenyl)-2-(3,4-dichloroanilino)acetamide
CID 29294726
N'-(3,4-dichlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]oxamide
CID 4317338
N-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetamide
CID 9099109
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79801945
3,3-dichloro-N-(3,4-dichlorophenyl)propanamide
CID 67062966
N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
CID 1019297
N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113001183

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid?
The IUPAC name of [2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid (CID 71381636) is [2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid.
What is the SMILES notation for [2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid?
The canonical SMILES for [2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid is O=C(O)NCC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid?
The InChIKey is SAEYITBSOFMDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O3/c10-6-2-1-5(3-7(6)11)13-8(14)4-12-9(15)16/h1-3,12H,4H2,(H,13,14)(H,15,16).
What are the key properties of [2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid?
[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid has a molecular weight of 263.08 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid is sourced from PubChem (CID 71381636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).