2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide

C14H16Cl2N4O — CID 115290403

IUPAC2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC(NC(=O)C(N)c1cnn(C)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N4O/c1-8(9-3-4-11(15)12(16)5-9)19-14(21)13(17)10-6-18-20(2)7-10/h3-8,13H,17H2,1-2H3,(H,19,21)
InChIKeyVLLULJPOKSQYNT-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.60
Rot. Bonds4

About 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115290403) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115290403
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC Name2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC(NC(=O)C(N)c1cnn(C)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N4O/c1-8(9-3-4-11(15)12(16)5-9)19-14(21)13(17)10-6-18-20(2)7-10/h3-8,13H,17H2,1-2H3,(H,19,21)
InChIKeyVLLULJPOKSQYNT-UHFFFAOYSA-N
XLogP2.60
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291021
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291026
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291042
3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35761538
2-amino-N-[1-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115289779
2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291040
2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 106388433
3-amino-4-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110473949
3-amino-4-[1-(3,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 64896143
3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669661
2-amino-N-(4-chloro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 83166938
(2R)-2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 103794045

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide (CID 115290403) is 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide is CC(NC(=O)C(N)c1cnn(C)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is VLLULJPOKSQYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c1-8(9-3-4-11(15)12(16)5-9)19-14(21)13(17)10-6-18-20(2)7-10/h3-8,13H,17H2,1-2H3,(H,19,21).
What are the key properties of 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 327.22 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115290403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).