N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide

C12H16ClN3O2 — CID 76928325

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide
SMILESCC(C(N)=NO)N(C)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN3O2/c1-8(12(14)15-18)16(2)11(17)7-9-3-5-10(13)6-4-9/h3-6,8,18H,7H2,1-2H3,(H2,14,15)
InChIKeyHFBZFLGHTZJXTG-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.48
Rot. Bonds4

About N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide (PubChem CID 76928325) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide
PubChem CID76928325
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide
SMILESCC(C(N)=NO)N(C)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN3O2/c1-8(12(14)15-18)16(2)11(17)7-9-3-5-10(13)6-4-9/h3-6,8,18H,7H2,1-2H3,(H2,14,15)
InChIKeyHFBZFLGHTZJXTG-UHFFFAOYSA-N
XLogP1.48
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115765069
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chloro-N-methylfuran-2-carboxamide
CID 106689304
3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide
CID 76979825
N-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 80666327
2-[(2,5-dichlorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 77065105
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 77000986
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-methylsulfonylacetamide
CID 77015123
N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 81484430
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide
CID 76928101
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide
CID 76946952
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethylbenzamide
CID 76928136
N'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide
CID 63174015

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide (CID 76928325) is N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide is CC(C(N)=NO)N(C)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide?
The InChIKey is HFBZFLGHTZJXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-8(12(14)15-18)16(2)11(17)7-9-3-5-10(13)6-4-9/h3-6,8,18H,7H2,1-2H3,(H2,14,15).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide has a molecular weight of 269.73 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide is sourced from PubChem (CID 76928325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).