3-[benzyl(cyclopropyl)amino]-N-(2,5-dichlorophenyl)propanamide

C19H20Cl2N2O — CID 34205276

IUPAC3-[benzyl(cyclopropyl)amino]-N-(2,5-dichlorophenyl)propanamide
SMILESO=C(CCN(Cc1ccccc1)C1CC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H20Cl2N2O/c20-15-6-9-17(21)18(12-15)22-19(24)10-11-23(16-7-8-16)13-14-4-2-1-3-5-14/h1-6,9,12,16H,7-8,10-11,13H2,(H,22,24)
InChIKeyNFJKYJZOTNTWBD-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.99
Rot. Bonds7

About 3-[benzyl(cyclopropyl)amino]-N-(2,5-dichlorophenyl)propanamide

3-[benzyl(cyclopropyl)amino]-N-(2,5-dichlorophenyl)propanamide (PubChem CID 34205276) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 3-[benzyl(cyclopropyl)amino]-N-(2,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(cyclopropyl)amino]-N-(2,5-dichlorophenyl)propanamide
PubChem CID34205276
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name3-[benzyl(cyclopropyl)amino]-N-(2,5-dichlorophenyl)propanamide
SMILESO=C(CCN(Cc1ccccc1)C1CC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H20Cl2N2O/c20-15-6-9-17(21)18(12-15)22-19(24)10-11-23(16-7-8-16)13-14-4-2-1-3-5-14/h1-6,9,12,16H,7-8,10-11,13H2,(H,22,24)
InChIKeyNFJKYJZOTNTWBD-UHFFFAOYSA-N
XLogP4.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(cyclopropyl)amino]-N-(2,5-dichlorophenyl)propanamide?
The IUPAC name of 3-[benzyl(cyclopropyl)amino]-N-(2,5-dichlorophenyl)propanamide (CID 34205276) is 3-[benzyl(cyclopropyl)amino]-N-(2,5-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[benzyl(cyclopropyl)amino]-N-(2,5-dichlorophenyl)propanamide?
The canonical SMILES for 3-[benzyl(cyclopropyl)amino]-N-(2,5-dichlorophenyl)propanamide is O=C(CCN(Cc1ccccc1)C1CC1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[benzyl(cyclopropyl)amino]-N-(2,5-dichlorophenyl)propanamide?
The InChIKey is NFJKYJZOTNTWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c20-15-6-9-17(21)18(12-15)22-19(24)10-11-23(16-7-8-16)13-14-4-2-1-3-5-14/h1-6,9,12,16H,7-8,10-11,13H2,(H,22,24).
What are the key properties of 3-[benzyl(cyclopropyl)amino]-N-(2,5-dichlorophenyl)propanamide?
3-[benzyl(cyclopropyl)amino]-N-(2,5-dichlorophenyl)propanamide has a molecular weight of 363.29 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(cyclopropyl)amino]-N-(2,5-dichlorophenyl)propanamide is sourced from PubChem (CID 34205276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).