N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-2-(methylcarbamoylamino)acetamide

C14H17Cl2N3O2 — CID 97247708

IUPACN-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-2-(methylcarbamoylamino)acetamide
SMILESCNC(=O)NCC(=O)NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3O2/c1-17-14(21)19-7-13(20)18-6-8-4-11(8)10-3-2-9(15)5-12(10)16/h2-3,5,8,11H,4,6-7H2,1H3,(H,18,20)(H2,17,19,21)/t8-,11+/m1/s1
InChIKeyOOLZTOHWXGRZFX-KCJUWKMLSA-N
MW330.22 g/mol
LogP2.14
Rot. Bonds5

About N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-2-(methylcarbamoylamino)acetamide

N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-2-(methylcarbamoylamino)acetamide (PubChem CID 97247708) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-2-(methylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-2-(methylcarbamoylamino)acetamide
PubChem CID97247708
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC NameN-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-2-(methylcarbamoylamino)acetamide
SMILESCNC(=O)NCC(=O)NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3O2/c1-17-14(21)19-7-13(20)18-6-8-4-11(8)10-3-2-9(15)5-12(10)16/h2-3,5,8,11H,4,6-7H2,1H3,(H,18,20)(H2,17,19,21)/t8-,11+/m1/s1
InChIKeyOOLZTOHWXGRZFX-KCJUWKMLSA-N
XLogP2.14
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-2-(methylcarbamoylamino)acetamide?
The IUPAC name of N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-2-(methylcarbamoylamino)acetamide (CID 97247708) is N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-2-(methylcarbamoylamino)acetamide.
What is the SMILES notation for N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-2-(methylcarbamoylamino)acetamide?
The canonical SMILES for N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-2-(methylcarbamoylamino)acetamide is CNC(=O)NCC(=O)NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-2-(methylcarbamoylamino)acetamide?
The InChIKey is OOLZTOHWXGRZFX-KCJUWKMLSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c1-17-14(21)19-7-13(20)18-6-8-4-11(8)10-3-2-9(15)5-12(10)16/h2-3,5,8,11H,4,6-7H2,1H3,(H,18,20)(H2,17,19,21)/t8-,11+/m1/s1.
What are the key properties of N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-2-(methylcarbamoylamino)acetamide?
N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-2-(methylcarbamoylamino)acetamide has a molecular weight of 330.22 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-2-(methylcarbamoylamino)acetamide is sourced from PubChem (CID 97247708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).