2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

C12H9ClF3NO3 — CID 60941371

IUPAC2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H9ClF3NO3/c13-8-3-5(12(14,15)16)1-2-9(8)17-10(18)6-4-7(6)11(19)20/h1-3,6-7H,4H2,(H,17,18)(H,19,20)
InChIKeyMCHDQHKBURTDJM-UHFFFAOYSA-N
MW307.66 g/mol
LogP3.02
Rot. Bonds3

About 2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60941371) has the molecular formula C12H9ClF3NO3 and a molecular weight of 307.66 g/mol. Its IUPAC name is 2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60941371
Molecular FormulaC12H9ClF3NO3
Molecular Weight307.66 g/mol
Exact Mass307.02
IUPAC Name2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H9ClF3NO3/c13-8-3-5(12(14,15)16)1-2-9(8)17-10(18)6-4-7(6)11(19)20/h1-3,6-7H,4H2,(H,17,18)(H,19,20)
InChIKeyMCHDQHKBURTDJM-UHFFFAOYSA-N
XLogP3.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.66
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-[(2-chloro-4-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93366670
cis-(1S,2R)-2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 819921
2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 53270434
2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270465
2-(azepane-1-carbonyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 109140738
cis-(1S,2R)-2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 51394297
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide
CID 166140537
N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine
CID 54381375
(1S,2S)-N-[2-chloro-4-(trifluoromethyl)phenyl]-1-phenylspiro[2.4]heptane-2-carboxamide
CID 86709744
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 43707397
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 17102273
1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid
CID 65464806

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 60941371) is 2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is MCHDQHKBURTDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3NO3/c13-8-3-5(12(14,15)16)1-2-9(8)17-10(18)6-4-7(6)11(19)20/h1-3,6-7H,4H2,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 307.66 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60941371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).