(3-chloro-2-iodophenyl)carbamic acid

C7H5ClINO2 — CID 122610663

IUPAC(3-chloro-2-iodophenyl)carbamic acid
SMILESO=C(O)Nc1cccc(Cl)c1I
InChIInChI=1S/C7H5ClINO2/c8-4-2-1-3-5(6(4)9)10-7(11)12/h1-3,10H,(H,11,12)
InChIKeyYWBUUMAYNLQPGN-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.03
Rot. Bonds1

About (3-chloro-2-iodophenyl)carbamic acid

(3-chloro-2-iodophenyl)carbamic acid (PubChem CID 122610663) has the molecular formula C7H5ClINO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is (3-chloro-2-iodophenyl)carbamic acid.

Molecular Properties

Compound Name(3-chloro-2-iodophenyl)carbamic acid
PubChem CID122610663
Molecular FormulaC7H5ClINO2
Molecular Weight297.48 g/mol
Exact Mass296.91
IUPAC Name(3-chloro-2-iodophenyl)carbamic acid
SMILESO=C(O)Nc1cccc(Cl)c1I
InChIInChI=1S/C7H5ClINO2/c8-4-2-1-3-5(6(4)9)10-7(11)12/h1-3,10H,(H,11,12)
InChIKeyYWBUUMAYNLQPGN-UHFFFAOYSA-N
XLogP3.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-chloro-2-propan-2-ylphenyl)carbamic acid
CID 22078489
1,3-bis(3-chloro-2-methylphenyl)urea
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6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558439
N-(2,3-dichlorophenyl)-4-phenylbenzamide
CID 3094078
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
N-(2,3-dichlorophenyl)-2-iodobenzamide
CID 1043515
3-chloro-2-iodobenzenesulfonic acid
CID 151573815
N-(2,3-dichlorophenyl)-6-methylpyridazine-3-carboxamide
CID 110705384
N-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide
CID 110864422
3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide
CID 17226451
2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
CID 28508177
1-(2,3-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991413

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-iodophenyl)carbamic acid?
The IUPAC name of (3-chloro-2-iodophenyl)carbamic acid (CID 122610663) is (3-chloro-2-iodophenyl)carbamic acid.
What is the SMILES notation for (3-chloro-2-iodophenyl)carbamic acid?
The canonical SMILES for (3-chloro-2-iodophenyl)carbamic acid is O=C(O)Nc1cccc(Cl)c1I.
What is the InChIKey of (3-chloro-2-iodophenyl)carbamic acid?
The InChIKey is YWBUUMAYNLQPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClINO2/c8-4-2-1-3-5(6(4)9)10-7(11)12/h1-3,10H,(H,11,12).
What are the key properties of (3-chloro-2-iodophenyl)carbamic acid?
(3-chloro-2-iodophenyl)carbamic acid has a molecular weight of 297.48 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-iodophenyl)carbamic acid is sourced from PubChem (CID 122610663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).