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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Related Compounds

N-(5-amino-2-fluorophenyl)-3-[benzyl(cyclopropyl)amino]propanamide
CID 113223373
N-(2-chlorophenyl)-3-[cyclopropyl-[(4-methylphenyl)methyl]amino]propanamide
CID 34969253
1-benzyl-3-(2,5-dichlorophenyl)-1-(4-phenylcyclohexyl)urea
CID 19935194
3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 109020669
N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide
CID 51654070
N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84568214
N-(2,5-dichlorophenyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
CID 126819767
N-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63297992
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(2,5-dichlorophenyl)acetamide
CID 102848440
N-(5-chloro-2-methylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84566712
3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 60840730
3-(cyclopentylamino)-N-(2,5-dichlorophenyl)propanamide
CID 109013761

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).