2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H9Cl2NO3 — CID 53270465

IUPAC2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H9Cl2NO3/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)
InChIKeyHHPFSOSBJFIGCN-UHFFFAOYSA-N
MW274.10 g/mol
LogP2.65
Rot. Bonds3

About 2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 53270465) has the molecular formula C11H9Cl2NO3 and a molecular weight of 274.10 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID53270465
Molecular FormulaC11H9Cl2NO3
Molecular Weight274.10 g/mol
Exact Mass273.00
IUPAC Name2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H9Cl2NO3/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)
InChIKeyHHPFSOSBJFIGCN-UHFFFAOYSA-N
XLogP2.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119180306
cis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93366184
1-N-(2,5-dichlorophenyl)-2-N-(2,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144115
1-N-(2,5-dichlorophenyl)-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140988
cis-(1S,2R)-2-[(2-chloro-5-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114092154
2-N-(3-chloro-2-methylphenyl)-1-N-(2,5-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143029
1-N-(2,5-dichlorophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130599
2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60942174
1-N-(2,5-dichlorophenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144010
1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133069
N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63720795
cis-(1S,2R)-2-[(2-chloro-4-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93366670

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 53270465) is 2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is HHPFSOSBJFIGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO3/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 274.10 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 53270465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).