2-amino-5-chloro-N-(diaminomethylidene)benzamide

C8H9ClN4O — CID 11806026

IUPAC2-amino-5-chloro-N-(diaminomethylidene)benzamide
SMILESNC(N)=NC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C8H9ClN4O/c9-4-1-2-6(10)5(3-4)7(14)13-8(11)12/h1-3H,10H2,(H4,11,12,13,14)
InChIKeyCQCMWCSTRODJHW-UHFFFAOYSA-N
MW212.64 g/mol
LogP0.34
Rot. Bonds1

About 2-amino-5-chloro-N-(diaminomethylidene)benzamide

2-amino-5-chloro-N-(diaminomethylidene)benzamide (PubChem CID 11806026) has the molecular formula C8H9ClN4O and a molecular weight of 212.64 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(diaminomethylidene)benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(diaminomethylidene)benzamide
PubChem CID11806026
Molecular FormulaC8H9ClN4O
Molecular Weight212.64 g/mol
Exact Mass212.05
IUPAC Name2-amino-5-chloro-N-(diaminomethylidene)benzamide
SMILESNC(N)=NC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C8H9ClN4O/c9-4-1-2-6(10)5(3-4)7(14)13-8(11)12/h1-3H,10H2,(H4,11,12,13,14)
InChIKeyCQCMWCSTRODJHW-UHFFFAOYSA-N
XLogP0.34
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
S-methyl 2-amino-5-chlorobenzenecarbothioate
CID 134117277
N-(diaminomethylidene)-2,5-difluorobenzamide
CID 84551330
S-propan-2-yl 2-amino-5-chlorobenzenecarbothioate
CID 134123075
2-amino-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide;dihydrochloride
CID 22376922
2-amino-N-(2-amino-2-oxoethyl)-5-chlorobenzamide
CID 16778185
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone;hydrochloride
CID 23355179
2-[[amino-(diaminomethylideneamino)methylidene]amino]-5-chlorobenzoic acid
CID 168605986
2-amino-N-(2-carbamoyl-4-chlorophenyl)-5-chlorobenzamide
CID 172722121
2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
N-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 11483373
(2-amino-5-chlorophenyl)-pyridazin-3-ylmethanone
CID 15049840

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(diaminomethylidene)benzamide?
The IUPAC name of 2-amino-5-chloro-N-(diaminomethylidene)benzamide (CID 11806026) is 2-amino-5-chloro-N-(diaminomethylidene)benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-(diaminomethylidene)benzamide?
The canonical SMILES for 2-amino-5-chloro-N-(diaminomethylidene)benzamide is NC(N)=NC(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-(diaminomethylidene)benzamide?
The InChIKey is CQCMWCSTRODJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O/c9-4-1-2-6(10)5(3-4)7(14)13-8(11)12/h1-3H,10H2,(H4,11,12,13,14).
What are the key properties of 2-amino-5-chloro-N-(diaminomethylidene)benzamide?
2-amino-5-chloro-N-(diaminomethylidene)benzamide has a molecular weight of 212.64 g/mol, XLogP of 0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(diaminomethylidene)benzamide is sourced from PubChem (CID 11806026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).