cis-(1S,2R)-2-[(2-chloro-4-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H9ClINO3 — CID 93366670

IUPACcis-(1S,2R)-2-[(2-chloro-4-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H9ClINO3/c12-8-3-5(13)1-2-9(8)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)/t6-,7+/m1/s1
InChIKeyUGPJXMNEKVYNIZ-RQJHMYQMSA-N
MW365.55 g/mol
LogP2.60
Rot. Bonds3

About cis-(1S,2R)-2-[(2-chloro-4-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[(2-chloro-4-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 93366670) has the molecular formula C11H9ClINO3 and a molecular weight of 365.55 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(2-chloro-4-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(2-chloro-4-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID93366670
Molecular FormulaC11H9ClINO3
Molecular Weight365.55 g/mol
Exact Mass364.93
IUPAC Namecis-(1S,2R)-2-[(2-chloro-4-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H9ClINO3/c12-8-3-5(13)1-2-9(8)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)/t6-,7+/m1/s1
InChIKeyUGPJXMNEKVYNIZ-RQJHMYQMSA-N
XLogP2.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941371
N-(2-chloro-4-iodophenyl)adamantane-2-carboxamide
CID 107606833
2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270465
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119180306
cis-(1S,2R)-2-[(2-chloro-5-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114092154
cis-(1S,2R)-2-[(2,4-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344028
N-(2-chloro-4-iodophenyl)adamantane-1-carboxamide
CID 107606816
N-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254611
5-[[(1R,2S)-2-carboxycyclopropanecarbonyl]amino]-2-chlorobenzoic acid
CID 93366698
2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868200
2-N-(2,4-dichlorophenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130797

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(2-chloro-4-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(2-chloro-4-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 93366670) is cis-(1S,2R)-2-[(2-chloro-4-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(2-chloro-4-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(2-chloro-4-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@H]1C(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of cis-(1S,2R)-2-[(2-chloro-4-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is UGPJXMNEKVYNIZ-RQJHMYQMSA-N. The full InChI is InChI=1S/C11H9ClINO3/c12-8-3-5(13)1-2-9(8)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)/t6-,7+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(2-chloro-4-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[(2-chloro-4-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 365.55 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(2-chloro-4-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93366670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).