ethyl 2-[cyclopropyl-[(3,5-dichlorophenyl)carbamoyl]amino]acetate

C14H16Cl2N2O3 — CID 107654415

IUPACethyl 2-[cyclopropyl-[(3,5-dichlorophenyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)Nc1cc(Cl)cc(Cl)c1)C1CC1
InChIInChI=1S/C14H16Cl2N2O3/c1-2-21-13(19)8-18(12-3-4-12)14(20)17-11-6-9(15)5-10(16)7-11/h5-7,12H,2-4,8H2,1H3,(H,17,20)
InChIKeySVFFUYXQWAHNML-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.55
Rot. Bonds5

About ethyl 2-[cyclopropyl-[(3,5-dichlorophenyl)carbamoyl]amino]acetate

ethyl 2-[cyclopropyl-[(3,5-dichlorophenyl)carbamoyl]amino]acetate (PubChem CID 107654415) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[(3,5-dichlorophenyl)carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[(3,5-dichlorophenyl)carbamoyl]amino]acetate
PubChem CID107654415
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Nameethyl 2-[cyclopropyl-[(3,5-dichlorophenyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)Nc1cc(Cl)cc(Cl)c1)C1CC1
InChIInChI=1S/C14H16Cl2N2O3/c1-2-21-13(19)8-18(12-3-4-12)14(20)17-11-6-9(15)5-10(16)7-11/h5-7,12H,2-4,8H2,1H3,(H,17,20)
InChIKeySVFFUYXQWAHNML-UHFFFAOYSA-N
XLogP3.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-[(3,5-dichlorophenyl)carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[(3,5-dichlorophenyl)carbamoyl]amino]acetate (CID 107654415) is ethyl 2-[cyclopropyl-[(3,5-dichlorophenyl)carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[(3,5-dichlorophenyl)carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[(3,5-dichlorophenyl)carbamoyl]amino]acetate is CCOC(=O)CN(C(=O)Nc1cc(Cl)cc(Cl)c1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-[(3,5-dichlorophenyl)carbamoyl]amino]acetate?
The InChIKey is SVFFUYXQWAHNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-2-21-13(19)8-18(12-3-4-12)14(20)17-11-6-9(15)5-10(16)7-11/h5-7,12H,2-4,8H2,1H3,(H,17,20).
What are the key properties of ethyl 2-[cyclopropyl-[(3,5-dichlorophenyl)carbamoyl]amino]acetate?
ethyl 2-[cyclopropyl-[(3,5-dichlorophenyl)carbamoyl]amino]acetate has a molecular weight of 331.20 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[(3,5-dichlorophenyl)carbamoyl]amino]acetate is sourced from PubChem (CID 107654415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).