1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid

C13H13Cl2NO3 — CID 62096941

IUPAC1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)C1(C(=O)O)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2NO3/c1-7(9-3-2-8(14)6-10(9)15)16-11(17)13(4-5-13)12(18)19/h2-3,6-7H,4-5H2,1H3,(H,16,17)(H,18,19)
InChIKeyBYZWZXZGSOSVKJ-UHFFFAOYSA-N
MW302.16 g/mol
LogP3.04
Rot. Bonds4

About 1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid

1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62096941) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62096941
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Name1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)C1(C(=O)O)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2NO3/c1-7(9-3-2-8(14)6-10(9)15)16-11(17)13(4-5-13)12(18)19/h2-3,6-7H,4-5H2,1H3,(H,16,17)(H,18,19)
InChIKeyBYZWZXZGSOSVKJ-UHFFFAOYSA-N
XLogP3.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-chlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095918
1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide
CID 54924993
3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide
CID 23550315
N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119683871
N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 43163867
1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea
CID 29023001
cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31200966
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
N-[1-(2,4-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617622
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 83080607
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
N-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974134

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (CID 62096941) is 1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is CC(NC(=O)C1(C(=O)O)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is BYZWZXZGSOSVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c1-7(9-3-2-8(14)6-10(9)15)16-11(17)13(4-5-13)12(18)19/h2-3,6-7H,4-5H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 302.16 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62096941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).