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

C14H15Cl2NO3 — CID 60953769

IUPAC2-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)C1CC1C(=O)O
InChIInChI=1S/C14H15Cl2NO3/c1-7(9-4-3-8(15)5-12(9)16)17(2)13(18)10-6-11(10)14(19)20/h3-5,7,10-11H,6H2,1-2H3,(H,19,20)
InChIKeyMKCAIRRFCLTPEZ-UHFFFAOYSA-N
MW316.18 g/mol
LogP3.23
Rot. Bonds4

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

2-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60953769) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60953769
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name2-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)C1CC1C(=O)O
InChIInChI=1S/C14H15Cl2NO3/c1-7(9-4-3-8(15)5-12(9)16)17(2)13(18)10-6-11(10)14(19)20/h3-5,7,10-11H,6H2,1-2H3,(H,19,20)
InChIKeyMKCAIRRFCLTPEZ-UHFFFAOYSA-N
XLogP3.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methyloxolane-3-carboxamide
CID 66239454
(2S,4S)-N-[1-(2,4-dichlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120621643
(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37494142
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119286052
5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62963870
4-[1-(2,4-dichlorophenyl)ethyl-ethylamino]oxolane-3-carboxylic acid
CID 66247505
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide
CID 54870634
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea
CID 51934926
cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31200966
(2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929187
N-[1-(2,4-dichlorophenyl)ethyl]-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47996531
2-(2,4-dichlorophenyl)propanoyl chloride
CID 14408749

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 60953769) is 2-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid is CC(c1ccc(Cl)cc1Cl)N(C)C(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is MKCAIRRFCLTPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c1-7(9-4-3-8(15)5-12(9)16)17(2)13(18)10-6-11(10)14(19)20/h3-5,7,10-11H,6H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 316.18 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60953769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).