4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylbenzamide

C15H14ClN3O — CID 121326882

IUPAC4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylbenzamide
SMILES[H]/N=C/c1c(N)cc(Cl)cc1-c1ccc(C(=O)NC)cc1
InChIInChI=1S/C15H14ClN3O/c1-19-15(20)10-4-2-9(3-5-10)12-6-11(16)7-14(18)13(12)8-17/h2-8,17H,18H2,1H3,(H,19,20)/b17-8+
InChIKeyKUNOUKHVNNZZSZ-CAOOACKPSA-N
MW287.75 g/mol
LogP2.95
Rot. Bonds3

About 4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylbenzamide

4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylbenzamide (PubChem CID 121326882) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylbenzamide
PubChem CID121326882
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylbenzamide
SMILES[H]/N=C/c1c(N)cc(Cl)cc1-c1ccc(C(=O)NC)cc1
InChIInChI=1S/C15H14ClN3O/c1-19-15(20)10-4-2-9(3-5-10)12-6-11(16)7-14(18)13(12)8-17/h2-8,17H,18H2,1H3,(H,19,20)/b17-8+
InChIKeyKUNOUKHVNNZZSZ-CAOOACKPSA-N
XLogP2.95
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(3-amino-5-chloro-2-methanimidoylphenyl)-N,N-dimethylbenzamide
CID 121326512
3-[6-[amino(methyl)amino]-3-pyridinyl]-5-chloro-2-methanimidoylaniline
CID 121326939
4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide
CID 89203284
4-(4-aminophenyl)-N-methylbenzamide
CID 91665695
4-(4-amino-5-methyl-2-propan-2-ylphenyl)-N-methylbenzamide
CID 59586785
4-amino-N-(3,4-dichlorophenyl)-3-methanimidoylbenzamide
CID 129089974
4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-methylbenzamide
CID 162626905
4-hydrazinyl-N-methylbenzamide
CID 20649402
2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 26467798
(2S)-3-(3-amino-2-methanimidoylphenyl)-2-[4-(4-chloro-2-cyanophenyl)anilino]-N-methyl-N-methylsulfonylpropanamide
CID 142656074
5-(2,5-dichlorophenyl)-N-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 9091487
methyl 4-[(3-amino-2,5-dichlorophenyl)carbamoyl]benzoate
CID 18962720

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylbenzamide?
The IUPAC name of 4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylbenzamide (CID 121326882) is 4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylbenzamide.
What is the SMILES notation for 4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylbenzamide?
The canonical SMILES for 4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylbenzamide is [H]/N=C/c1c(N)cc(Cl)cc1-c1ccc(C(=O)NC)cc1.
What is the InChIKey of 4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylbenzamide?
The InChIKey is KUNOUKHVNNZZSZ-CAOOACKPSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-19-15(20)10-4-2-9(3-5-10)12-6-11(16)7-14(18)13(12)8-17/h2-8,17H,18H2,1H3,(H,19,20)/b17-8+.
What are the key properties of 4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylbenzamide?
4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylbenzamide has a molecular weight of 287.75 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylbenzamide is sourced from PubChem (CID 121326882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).