2-[(3R)-3-(cyclopropylcarbamoylamino)pyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide

C16H19Cl3N4O2 — CID 99783586

IUPAC2-[(3R)-3-(cyclopropylcarbamoylamino)pyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(CN1CC[C@@H](NC(=O)NC2CC2)C1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H19Cl3N4O2/c17-11-5-13(19)14(6-12(11)18)22-15(24)8-23-4-3-10(7-23)21-16(25)20-9-1-2-9/h5-6,9-10H,1-4,7-8H2,(H,22,24)(H2,20,21,25)/t10-/m1/s1
InChIKeyCTXACFPXCLQXMS-SNVBAGLBSA-N
MW405.71 g/mol
LogP3.12
Rot. Bonds5

About 2-[(3R)-3-(cyclopropylcarbamoylamino)pyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide

2-[(3R)-3-(cyclopropylcarbamoylamino)pyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 99783586) has the molecular formula C16H19Cl3N4O2 and a molecular weight of 405.71 g/mol. Its IUPAC name is 2-[(3R)-3-(cyclopropylcarbamoylamino)pyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(cyclopropylcarbamoylamino)pyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID99783586
Molecular FormulaC16H19Cl3N4O2
Molecular Weight405.71 g/mol
Exact Mass404.06
IUPAC Name2-[(3R)-3-(cyclopropylcarbamoylamino)pyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(CN1CC[C@@H](NC(=O)NC2CC2)C1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H19Cl3N4O2/c17-11-5-13(19)14(6-12(11)18)22-15(24)8-23-4-3-10(7-23)21-16(25)20-9-1-2-9/h5-6,9-10H,1-4,7-8H2,(H,22,24)(H2,20,21,25)/t10-/m1/s1
InChIKeyCTXACFPXCLQXMS-SNVBAGLBSA-N
XLogP3.12
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.71
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(cyclopropylcarbamoylamino)pyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[(3R)-3-(cyclopropylcarbamoylamino)pyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide (CID 99783586) is 2-[(3R)-3-(cyclopropylcarbamoylamino)pyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-(cyclopropylcarbamoylamino)pyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[(3R)-3-(cyclopropylcarbamoylamino)pyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide is O=C(CN1CC[C@@H](NC(=O)NC2CC2)C1)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-[(3R)-3-(cyclopropylcarbamoylamino)pyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is CTXACFPXCLQXMS-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19Cl3N4O2/c17-11-5-13(19)14(6-12(11)18)22-15(24)8-23-4-3-10(7-23)21-16(25)20-9-1-2-9/h5-6,9-10H,1-4,7-8H2,(H,22,24)(H2,20,21,25)/t10-/m1/s1.
What are the key properties of 2-[(3R)-3-(cyclopropylcarbamoylamino)pyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
2-[(3R)-3-(cyclopropylcarbamoylamino)pyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 405.71 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(cyclopropylcarbamoylamino)pyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 99783586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).