2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide

C14H18Cl2N2O — CID 86946251

IUPAC2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC1CC1
InChIInChI=1S/C14H18Cl2N2O/c1-2-18(8-10-3-4-10)9-14(19)17-11-5-6-12(15)13(16)7-11/h5-7,10H,2-4,8-9H2,1H3,(H,17,19)
InChIKeyJJMINPWANUHLAD-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.66
Rot. Bonds6

About 2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide

2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 86946251) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide
PubChem CID86946251
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC1CC1
InChIInChI=1S/C14H18Cl2N2O/c1-2-18(8-10-3-4-10)9-14(19)17-11-5-6-12(15)13(16)7-11/h5-7,10H,2-4,8-9H2,1H3,(H,17,19)
InChIKeyJJMINPWANUHLAD-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(ethyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 86946248
N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588022
N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63954898
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955922
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 9027460
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide;hydrochloride
CID 119929550
N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 31374778
N-(3,4-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808800
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607288
N-(2,6-dichlorophenyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide;hydrochloride
CID 119929877
N-(4-acetamidophenyl)-2-[ethyl(piperidin-3-ylmethyl)amino]acetamide
CID 119929411
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 103815619

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide (CID 86946251) is 2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide is CCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is JJMINPWANUHLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-2-18(8-10-3-4-10)9-14(19)17-11-5-6-12(15)13(16)7-11/h5-7,10H,2-4,8-9H2,1H3,(H,17,19).
What are the key properties of 2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide?
2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 301.22 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 86946251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).