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

C12H14Cl2N2O — CID 28568189

IUPACN-(cyclopropylmethyl)-2-(2,5-dichloroanilino)acetamide
SMILESO=C(CNc1cc(Cl)ccc1Cl)NCC1CC1
InChIInChI=1S/C12H14Cl2N2O/c13-9-3-4-10(14)11(5-9)15-7-12(17)16-6-8-1-2-8/h3-5,8,15H,1-2,6-7H2,(H,16,17)
InChIKeyQXADQFDHIWBBPJ-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.93
Rot. Bonds5

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

N-(cyclopropylmethyl)-2-(2,5-dichloroanilino)acetamide (PubChem CID 28568189) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2,5-dichloroanilino)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2,5-dichloroanilino)acetamide
PubChem CID28568189
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC NameN-(cyclopropylmethyl)-2-(2,5-dichloroanilino)acetamide
SMILESO=C(CNc1cc(Cl)ccc1Cl)NCC1CC1
InChIInChI=1S/C12H14Cl2N2O/c13-9-3-4-10(14)11(5-9)15-7-12(17)16-6-8-1-2-8/h3-5,8,15H,1-2,6-7H2,(H,16,17)
InChIKeyQXADQFDHIWBBPJ-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-(3,5-dichloroanilino)acetamide
CID 28576189
2-(4-bromo-2,3-dichloroanilino)-N-(cyclopropylmethyl)acetamide
CID 113429963
N-(cyclopropylmethyl)-2-(2,3,5-trifluoroanilino)acetamide
CID 62810074
2-(4-chloro-2-fluoroanilino)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]acetamide
CID 97228233
N-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide
CID 43015950
2-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-(cyclopropylmethyl)acetamide
CID 133441762
3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015968
N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide
CID 61230162
4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 24667080
2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768
2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide
CID 60791450

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2,5-dichloroanilino)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(2,5-dichloroanilino)acetamide (CID 28568189) is N-(cyclopropylmethyl)-2-(2,5-dichloroanilino)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2,5-dichloroanilino)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2,5-dichloroanilino)acetamide is O=C(CNc1cc(Cl)ccc1Cl)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2,5-dichloroanilino)acetamide?
The InChIKey is QXADQFDHIWBBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c13-9-3-4-10(14)11(5-9)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-(2,5-dichloroanilino)acetamide?
N-(cyclopropylmethyl)-2-(2,5-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-(2,5-dichloroanilino)acetamide is sourced from PubChem (CID 28568189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).