2-carbamoylbenzoic acid;1,1-dichloroethene

C10H9Cl2NO3 — CID 175332262

IUPAC2-carbamoylbenzoic acid;1,1-dichloroethene
SMILESC=C(Cl)Cl.NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C8H7NO3.C2H2Cl2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2(3)4/h1-4H,(H2,9,10)(H,11,12);1H2
InChIKeyFCPQGNWMSUONIW-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.42
Rot. Bonds2

About 2-carbamoylbenzoic acid;1,1-dichloroethene

2-carbamoylbenzoic acid;1,1-dichloroethene (PubChem CID 175332262) has the molecular formula C10H9Cl2NO3 and a molecular weight of 262.09 g/mol. Its IUPAC name is 2-carbamoylbenzoic acid;1,1-dichloroethene.

Molecular Properties

Compound Name2-carbamoylbenzoic acid;1,1-dichloroethene
PubChem CID175332262
Molecular FormulaC10H9Cl2NO3
Molecular Weight262.09 g/mol
Exact Mass261.00
IUPAC Name2-carbamoylbenzoic acid;1,1-dichloroethene
SMILESC=C(Cl)Cl.NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C8H7NO3.C2H2Cl2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2(3)4/h1-4H,(H2,9,10)(H,11,12);1H2
InChIKeyFCPQGNWMSUONIW-UHFFFAOYSA-N
XLogP2.42
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-carbamoylbenzoic acid;1,1-dichloroethene?
The IUPAC name of 2-carbamoylbenzoic acid;1,1-dichloroethene (CID 175332262) is 2-carbamoylbenzoic acid;1,1-dichloroethene.
What is the SMILES notation for 2-carbamoylbenzoic acid;1,1-dichloroethene?
The canonical SMILES for 2-carbamoylbenzoic acid;1,1-dichloroethene is C=C(Cl)Cl.NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-carbamoylbenzoic acid;1,1-dichloroethene?
The InChIKey is FCPQGNWMSUONIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3.C2H2Cl2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2(3)4/h1-4H,(H2,9,10)(H,11,12);1H2.
What are the key properties of 2-carbamoylbenzoic acid;1,1-dichloroethene?
2-carbamoylbenzoic acid;1,1-dichloroethene has a molecular weight of 262.09 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoylbenzoic acid;1,1-dichloroethene is sourced from PubChem (CID 175332262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).