3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide

C15H19ClN2O2 — CID 113115435

IUPAC3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)c(Cl)c1)C1CC1
InChIInChI=1S/C15H19ClN2O2/c1-10-3-4-12(9-14(10)16)17-15(20)7-8-18(11(2)19)13-5-6-13/h3-4,9,13H,5-8H2,1-2H3,(H,17,20)
InChIKeyJQMKUWHZQUKUDE-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.99
Rot. Bonds5

About 3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide

3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide (PubChem CID 113115435) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
PubChem CID113115435
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)c(Cl)c1)C1CC1
InChIInChI=1S/C15H19ClN2O2/c1-10-3-4-12(9-14(10)16)17-15(20)7-8-18(11(2)19)13-5-6-13/h3-4,9,13H,5-8H2,1-2H3,(H,17,20)
InChIKeyJQMKUWHZQUKUDE-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113116428
2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113158419
N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide
CID 113115459
3-[acetyl(cyclopropyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 113115433
3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113127759
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123650
3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide
CID 113116671
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide
CID 113115426
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113118831
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113165059
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123845

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide (CID 113115435) is 3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C)c(Cl)c1)C1CC1.
What is the InChIKey of 3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide?
The InChIKey is JQMKUWHZQUKUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10-3-4-12(9-14(10)16)17-15(20)7-8-18(11(2)19)13-5-6-13/h3-4,9,13H,5-8H2,1-2H3,(H,17,20).
What are the key properties of 3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide?
3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide has a molecular weight of 294.78 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide is sourced from PubChem (CID 113115435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).