N-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide

C12H14Cl2N2O — CID 28576189

IUPACN-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide
SMILESO=C(CNc1cc(Cl)cc(Cl)c1)NCC1CC1
InChIInChI=1S/C12H14Cl2N2O/c13-9-3-10(14)5-11(4-9)15-7-12(17)16-6-8-1-2-8/h3-5,8,15H,1-2,6-7H2,(H,16,17)
InChIKeyBEJMVFOJFNQLML-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.93
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide

N-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide (PubChem CID 28576189) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide
PubChem CID28576189
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC NameN-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide
SMILESO=C(CNc1cc(Cl)cc(Cl)c1)NCC1CC1
InChIInChI=1S/C12H14Cl2N2O/c13-9-3-10(14)5-11(4-9)15-7-12(17)16-6-8-1-2-8/h3-5,8,15H,1-2,6-7H2,(H,16,17)
InChIKeyBEJMVFOJFNQLML-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2-(2,4,5-trichloroanilino)acetamide
CID 29053888
N-(cyclopropylmethyl)-2-(2,5-dichloroanilino)acetamide
CID 28568189
2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide
CID 60842452
N-(cyclopropylmethyl)-2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]acetamide
CID 133441833
N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide
CID 61230162
N-(cyclopropylmethyl)-2-(3-ethylanilino)acetamide
CID 28584355
N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide
CID 67011238
N-(cyclopropylmethyl)-2-(2,4,6-tribromoanilino)acetamide
CID 28992064
2-anilino-N-(cyclopentylmethyl)acetamide;hydrochloride
CID 119718704
N-cyclopropyl-2-(3,5-dichloroanilino)-N-methylacetamide
CID 54957036
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571844
2-(3,5-dichloroanilino)-N-propan-2-ylacetamide
CID 28576141

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide (CID 28576189) is N-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide is O=C(CNc1cc(Cl)cc(Cl)c1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide?
The InChIKey is BEJMVFOJFNQLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c13-9-3-10(14)5-11(4-9)15-7-12(17)16-6-8-1-2-8/h3-5,8,15H,1-2,6-7H2,(H,16,17).
What are the key properties of N-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide?
N-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide has a molecular weight of 273.16 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide is sourced from PubChem (CID 28576189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).