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

C14H17ClN2O2 — CID 113158419

IUPAC2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C)c(Cl)c1)C1CC1
InChIInChI=1S/C14H17ClN2O2/c1-9-3-4-11(7-13(9)15)16-14(19)8-17(10(2)18)12-5-6-12/h3-4,7,12H,5-6,8H2,1-2H3,(H,16,19)
InChIKeyVVSBXWDXEDEHHM-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.60
Rot. Bonds4

About 2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide

2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 113158419) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID113158419
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C)c(Cl)c1)C1CC1
InChIInChI=1S/C14H17ClN2O2/c1-9-3-4-11(7-13(9)15)16-14(19)8-17(10(2)18)12-5-6-12/h3-4,7,12H,5-6,8H2,1-2H3,(H,16,19)
InChIKeyVVSBXWDXEDEHHM-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113165059
3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113115435
3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113116428
2-[acetyl(cyclohexyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113159503
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607404
N-(3-chloro-4-methylphenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102677060
2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113168356
2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113158405
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642155
N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide
CID 34217695
2-[acetyl(cyclopropyl)amino]-N-(4-bromophenyl)acetamide
CID 113158424
2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
CID 113159571

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide (CID 113158419) is 2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(C)c(Cl)c1)C1CC1.
What is the InChIKey of 2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is VVSBXWDXEDEHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9-3-4-11(7-13(9)15)16-14(19)8-17(10(2)18)12-5-6-12/h3-4,7,12H,5-6,8H2,1-2H3,(H,16,19).
What are the key properties of 2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide?
2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 280.75 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 113158419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).