2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide

C12H14Cl2N2O — CID 60842452

IUPAC2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(CNCC1CC1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14Cl2N2O/c13-9-3-10(14)5-11(4-9)16-12(17)7-15-6-8-1-2-8/h3-5,8,15H,1-2,6-7H2,(H,16,17)
InChIKeyXREDWHDJZAZVBB-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.93
Rot. Bonds5

About 2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide

2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide (PubChem CID 60842452) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide
PubChem CID60842452
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(CNCC1CC1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14Cl2N2O/c13-9-3-10(14)5-11(4-9)16-12(17)7-15-6-8-1-2-8/h3-5,8,15H,1-2,6-7H2,(H,16,17)
InChIKeyXREDWHDJZAZVBB-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-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119752578
2-(cyclopropylamino)-N-(3,5-dichlorophenyl)acetamide
CID 60647336
N-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide
CID 28576189
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide
CID 54924873
2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride
CID 119707226
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
N-[2,6-dichloro-4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]pyrazine-2-carboxamide
CID 119789147
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700150
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide (CID 60842452) is 2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide is O=C(CNCC1CC1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is XREDWHDJZAZVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c13-9-3-10(14)5-11(4-9)16-12(17)7-15-6-8-1-2-8/h3-5,8,15H,1-2,6-7H2,(H,16,17).
What are the key properties of 2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide?
2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)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 2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 60842452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).