4-amino-N-(3,4-dichlorophenyl)-3-methanimidoylbenzamide

C14H11Cl2N3O — CID 129089974

IUPAC4-amino-N-(3,4-dichlorophenyl)-3-methanimidoylbenzamide
SMILES[H]/N=C/c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N
InChIInChI=1S/C14H11Cl2N3O/c15-11-3-2-10(6-12(11)16)19-14(20)8-1-4-13(18)9(5-8)7-17/h1-7,17H,18H2,(H,19,20)/b17-7+
InChIKeyFHAMAZGVXGXAMJ-REZTVBANSA-N
MW308.17 g/mol
LogP3.83
Rot. Bonds3

About 4-amino-N-(3,4-dichlorophenyl)-3-methanimidoylbenzamide

4-amino-N-(3,4-dichlorophenyl)-3-methanimidoylbenzamide (PubChem CID 129089974) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is 4-amino-N-(3,4-dichlorophenyl)-3-methanimidoylbenzamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dichlorophenyl)-3-methanimidoylbenzamide
PubChem CID129089974
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name4-amino-N-(3,4-dichlorophenyl)-3-methanimidoylbenzamide
SMILES[H]/N=C/c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N
InChIInChI=1S/C14H11Cl2N3O/c15-11-3-2-10(6-12(11)16)19-14(20)8-1-4-13(18)9(5-8)7-17/h1-7,17H,18H2,(H,19,20)/b17-7+
InChIKeyFHAMAZGVXGXAMJ-REZTVBANSA-N
XLogP3.83
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.83
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

N-(4-amino-3-methanimidoylphenyl)-4-tert-butylbenzamide
CID 142973995
4-amino-N-(3,4-dichlorophenyl)-3-hydroxybenzamide
CID 107073884
N-(3,4-dichlorophenyl)-4-hydrazinylbenzamide
CID 62235810
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862
3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide
CID 62680652
2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60635776
3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide
CID 29201519
3,4-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 82885265
4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 24699191
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
3-acetamido-N-(3-amino-4-chlorophenyl)benzamide
CID 28867862
phenyl N-(4-amino-3-methanimidoylphenyl)carbamate
CID 167447123

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dichlorophenyl)-3-methanimidoylbenzamide?
The IUPAC name of 4-amino-N-(3,4-dichlorophenyl)-3-methanimidoylbenzamide (CID 129089974) is 4-amino-N-(3,4-dichlorophenyl)-3-methanimidoylbenzamide.
What is the SMILES notation for 4-amino-N-(3,4-dichlorophenyl)-3-methanimidoylbenzamide?
The canonical SMILES for 4-amino-N-(3,4-dichlorophenyl)-3-methanimidoylbenzamide is [H]/N=C/c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N.
What is the InChIKey of 4-amino-N-(3,4-dichlorophenyl)-3-methanimidoylbenzamide?
The InChIKey is FHAMAZGVXGXAMJ-REZTVBANSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c15-11-3-2-10(6-12(11)16)19-14(20)8-1-4-13(18)9(5-8)7-17/h1-7,17H,18H2,(H,19,20)/b17-7+.
What are the key properties of 4-amino-N-(3,4-dichlorophenyl)-3-methanimidoylbenzamide?
4-amino-N-(3,4-dichlorophenyl)-3-methanimidoylbenzamide has a molecular weight of 308.17 g/mol, XLogP of 3.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dichlorophenyl)-3-methanimidoylbenzamide is sourced from PubChem (CID 129089974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).