(2,3-dichlorophenyl)methylidenecarbamic acid

C8H5Cl2NO2 — CID 68646175

IUPAC(2,3-dichlorophenyl)methylidenecarbamic acid
SMILESO=C(O)N=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C8H5Cl2NO2/c9-6-3-1-2-5(7(6)10)4-11-8(12)13/h1-4H,(H,12,13)
InChIKeyWQLVUUXDBYADQE-UHFFFAOYSA-N
MW218.04 g/mol
LogP3.09
Rot. Bonds1

About (2,3-dichlorophenyl)methylidenecarbamic acid

(2,3-dichlorophenyl)methylidenecarbamic acid (PubChem CID 68646175) has the molecular formula C8H5Cl2NO2 and a molecular weight of 218.04 g/mol. Its IUPAC name is (2,3-dichlorophenyl)methylidenecarbamic acid.

Molecular Properties

Compound Name(2,3-dichlorophenyl)methylidenecarbamic acid
PubChem CID68646175
Molecular FormulaC8H5Cl2NO2
Molecular Weight218.04 g/mol
Exact Mass216.97
IUPAC Name(2,3-dichlorophenyl)methylidenecarbamic acid
SMILESO=C(O)N=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C8H5Cl2NO2/c9-6-3-1-2-5(7(6)10)4-11-8(12)13/h1-4H,(H,12,13)
InChIKeyWQLVUUXDBYADQE-UHFFFAOYSA-N
XLogP3.09
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.04
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6294643
(Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid
CID 2412390
1-(2,3-dichlorophenyl)-N-phenylmethanimine
CID 23340900
1,2-dichloro-3-ethenylbenzene;prop-2-enoic acid
CID 174953913
N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide
CID 154646210
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 171981130
2,3-dichlorobenzaldehyde;methanol
CID 162040206
4-[(2,3-dichlorophenyl)methylideneamino]phenol
CID 132648456
3-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]benzamide
CID 5407459
(E)-3-(2,3-dichlorophenyl)prop-2-enoate
CID 2063719
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
CID 5333191
N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide
CID 9351462

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)methylidenecarbamic acid?
The IUPAC name of (2,3-dichlorophenyl)methylidenecarbamic acid (CID 68646175) is (2,3-dichlorophenyl)methylidenecarbamic acid.
What is the SMILES notation for (2,3-dichlorophenyl)methylidenecarbamic acid?
The canonical SMILES for (2,3-dichlorophenyl)methylidenecarbamic acid is O=C(O)N=Cc1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)methylidenecarbamic acid?
The InChIKey is WQLVUUXDBYADQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO2/c9-6-3-1-2-5(7(6)10)4-11-8(12)13/h1-4H,(H,12,13).
What are the key properties of (2,3-dichlorophenyl)methylidenecarbamic acid?
(2,3-dichlorophenyl)methylidenecarbamic acid has a molecular weight of 218.04 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)methylidenecarbamic acid is sourced from PubChem (CID 68646175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).