N-(2-chloroanilino)-N'-(3-methoxyphenyl)-2-oxopropanimidamide

C16H16ClN3O2 — CID 11034476

IUPACN-(2-chloroanilino)-N'-(3-methoxyphenyl)-2-oxopropanimidamide
SMILESCOc1cccc(/N=C(/NNc2ccccc2Cl)C(C)=O)c1
InChIInChI=1S/C16H16ClN3O2/c1-11(21)16(18-12-6-5-7-13(10-12)22-2)20-19-15-9-4-3-8-14(15)17/h3-10,19H,1-2H3,(H,18,20)
InChIKeyIRHNQPZIYNLJMP-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.58
Rot. Bonds5

About N-(2-chloroanilino)-N'-(3-methoxyphenyl)-2-oxopropanimidamide

N-(2-chloroanilino)-N'-(3-methoxyphenyl)-2-oxopropanimidamide (PubChem CID 11034476) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-(2-chloroanilino)-N'-(3-methoxyphenyl)-2-oxopropanimidamide.

Molecular Properties

Compound NameN-(2-chloroanilino)-N'-(3-methoxyphenyl)-2-oxopropanimidamide
PubChem CID11034476
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC NameN-(2-chloroanilino)-N'-(3-methoxyphenyl)-2-oxopropanimidamide
SMILESCOc1cccc(/N=C(/NNc2ccccc2Cl)C(C)=O)c1
InChIInChI=1S/C16H16ClN3O2/c1-11(21)16(18-12-6-5-7-13(10-12)22-2)20-19-15-9-4-3-8-14(15)17/h3-10,19H,1-2H3,(H,18,20)
InChIKeyIRHNQPZIYNLJMP-UHFFFAOYSA-N
XLogP3.58
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-chlorophenyl)-N-(3-methoxyphenyl)oxamide
CID 45000733
N'-(3-fluorophenyl)-N-(2-methylanilino)-2-oxopropanimidamide
CID 11778680
N-(2-cyanoanilino)-2-oxo-N'-phenylpropanimidamide
CID 11065773
N-(2-chlorophenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide
CID 22431239
2-(2-chloroanilino)-2-(3-methoxyphenyl)propanamide
CID 60996698
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CID 96532468
2-(3-methoxyphenyl)guanidine;nitrous acid
CID 86595100
1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea
CID 103480109
(2,6-dichlorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate
CID 8776421
[1-(2-chloroanilino)-1-oxopropan-2-yl] 3-methoxybenzoate
CID 5227047

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroanilino)-N'-(3-methoxyphenyl)-2-oxopropanimidamide?
The IUPAC name of N-(2-chloroanilino)-N'-(3-methoxyphenyl)-2-oxopropanimidamide (CID 11034476) is N-(2-chloroanilino)-N'-(3-methoxyphenyl)-2-oxopropanimidamide.
What is the SMILES notation for N-(2-chloroanilino)-N'-(3-methoxyphenyl)-2-oxopropanimidamide?
The canonical SMILES for N-(2-chloroanilino)-N'-(3-methoxyphenyl)-2-oxopropanimidamide is COc1cccc(/N=C(/NNc2ccccc2Cl)C(C)=O)c1.
What is the InChIKey of N-(2-chloroanilino)-N'-(3-methoxyphenyl)-2-oxopropanimidamide?
The InChIKey is IRHNQPZIYNLJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-11(21)16(18-12-6-5-7-13(10-12)22-2)20-19-15-9-4-3-8-14(15)17/h3-10,19H,1-2H3,(H,18,20).
What are the key properties of N-(2-chloroanilino)-N'-(3-methoxyphenyl)-2-oxopropanimidamide?
N-(2-chloroanilino)-N'-(3-methoxyphenyl)-2-oxopropanimidamide has a molecular weight of 317.78 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroanilino)-N'-(3-methoxyphenyl)-2-oxopropanimidamide is sourced from PubChem (CID 11034476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).