2-amino-N-[(2,5-dichlorophenyl)methyl]-N-propan-2-ylacetamide

C12H16Cl2N2O — CID 66568195

IUPAC2-amino-N-[(2,5-dichlorophenyl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1cc(Cl)ccc1Cl)C(=O)CN
InChIInChI=1S/C12H16Cl2N2O/c1-8(2)16(12(17)6-15)7-9-5-10(13)3-4-11(9)14/h3-5,8H,6-7,15H2,1-2H3
InChIKeyHJQMQPUXQZOBRX-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.69
Rot. Bonds4

About 2-amino-N-[(2,5-dichlorophenyl)methyl]-N-propan-2-ylacetamide

2-amino-N-[(2,5-dichlorophenyl)methyl]-N-propan-2-ylacetamide (PubChem CID 66568195) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-amino-N-[(2,5-dichlorophenyl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[(2,5-dichlorophenyl)methyl]-N-propan-2-ylacetamide
PubChem CID66568195
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2-amino-N-[(2,5-dichlorophenyl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1cc(Cl)ccc1Cl)C(=O)CN
InChIInChI=1S/C12H16Cl2N2O/c1-8(2)16(12(17)6-15)7-9-5-10(13)3-4-11(9)14/h3-5,8H,6-7,15H2,1-2H3
InChIKeyHJQMQPUXQZOBRX-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylacetamide
CID 39359888
2-[(2,5-dichlorophenyl)methyl-propan-2-ylamino]ethanethioamide
CID 65317522
(2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide
CID 66568232
3-[(2,5-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65316606
4-(2,5-dichlorophenyl)-3-methylbutan-2-one
CID 65316691
ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate
CID 19778949
2-amino-N-(2,5-dichlorophenyl)-N-ethylacetamide
CID 28794924
2-[(2,5-dichlorophenyl)methyl-propan-2-ylamino]acetonitrile
CID 65317662
2-chloro-N-[(2,5-dichlorophenyl)methyl]-N-ethylacetamide
CID 66567842
2-[(2-amino-5-chlorophenyl)methyl-propan-2-ylamino]acetamide
CID 79582552
2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 79473076
(2S)-4-(2,5-dichlorophenyl)butan-2-amine
CID 95375914

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,5-dichlorophenyl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-amino-N-[(2,5-dichlorophenyl)methyl]-N-propan-2-ylacetamide (CID 66568195) is 2-amino-N-[(2,5-dichlorophenyl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[(2,5-dichlorophenyl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-amino-N-[(2,5-dichlorophenyl)methyl]-N-propan-2-ylacetamide is CC(C)N(Cc1cc(Cl)ccc1Cl)C(=O)CN.
What is the InChIKey of 2-amino-N-[(2,5-dichlorophenyl)methyl]-N-propan-2-ylacetamide?
The InChIKey is HJQMQPUXQZOBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-8(2)16(12(17)6-15)7-9-5-10(13)3-4-11(9)14/h3-5,8H,6-7,15H2,1-2H3.
What are the key properties of 2-amino-N-[(2,5-dichlorophenyl)methyl]-N-propan-2-ylacetamide?
2-amino-N-[(2,5-dichlorophenyl)methyl]-N-propan-2-ylacetamide has a molecular weight of 275.18 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,5-dichlorophenyl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 66568195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).