3-amino-N-(3-chloro-2-methylphenyl)-3-hydroxyimino-2-methylpropanamide

C11H14ClN3O2 — CID 76926908

IUPAC3-amino-N-(3-chloro-2-methylphenyl)-3-hydroxyimino-2-methylpropanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)C(N)=NO
InChIInChI=1S/C11H14ClN3O2/c1-6-8(12)4-3-5-9(6)14-11(16)7(2)10(13)15-17/h3-5,7,17H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyZFWLDPZDOUXGLE-UHFFFAOYSA-N
MW255.71 g/mol
LogP1.97
Rot. Bonds3

About 3-amino-N-(3-chloro-2-methylphenyl)-3-hydroxyimino-2-methylpropanamide

3-amino-N-(3-chloro-2-methylphenyl)-3-hydroxyimino-2-methylpropanamide (PubChem CID 76926908) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-2-methylphenyl)-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-2-methylphenyl)-3-hydroxyimino-2-methylpropanamide
PubChem CID76926908
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC Name3-amino-N-(3-chloro-2-methylphenyl)-3-hydroxyimino-2-methylpropanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)C(N)=NO
InChIInChI=1S/C11H14ClN3O2/c1-6-8(12)4-3-5-9(6)14-11(16)7(2)10(13)15-17/h3-5,7,17H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyZFWLDPZDOUXGLE-UHFFFAOYSA-N
XLogP1.97
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 51.97
H-Bond Donors ≤ 53
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

N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
N-(3-chloro-2-methylphenyl)-3-methyl-2-sulfanylbutanamide
CID 107020086
N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide
CID 83768417
N-(3-chloro-2-methylphenyl)-2-methylbutanediamide
CID 82120222
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
N-(3-chloro-2-methylphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80590922
2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide
CID 76892391
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
(3Z)-3-amino-N-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide
CID 81274652
(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide
CID 116785317
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 46630775
3-amino-3-hydroxyimino-N-isoquinolin-5-yl-2-methylpropanamide
CID 76925512

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-2-methylphenyl)-3-hydroxyimino-2-methylpropanamide?
The IUPAC name of 3-amino-N-(3-chloro-2-methylphenyl)-3-hydroxyimino-2-methylpropanamide (CID 76926908) is 3-amino-N-(3-chloro-2-methylphenyl)-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(3-chloro-2-methylphenyl)-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(3-chloro-2-methylphenyl)-3-hydroxyimino-2-methylpropanamide is Cc1c(Cl)cccc1NC(=O)C(C)C(N)=NO.
What is the InChIKey of 3-amino-N-(3-chloro-2-methylphenyl)-3-hydroxyimino-2-methylpropanamide?
The InChIKey is ZFWLDPZDOUXGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-6-8(12)4-3-5-9(6)14-11(16)7(2)10(13)15-17/h3-5,7,17H,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of 3-amino-N-(3-chloro-2-methylphenyl)-3-hydroxyimino-2-methylpropanamide?
3-amino-N-(3-chloro-2-methylphenyl)-3-hydroxyimino-2-methylpropanamide has a molecular weight of 255.71 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-2-methylphenyl)-3-hydroxyimino-2-methylpropanamide is sourced from PubChem (CID 76926908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).