2-(2-chloro-6-methylphenyl)-N-(diaminomethylidene)acetamide

C10H12ClN3O — CID 123209700

IUPAC2-(2-chloro-6-methylphenyl)-N-(diaminomethylidene)acetamide
SMILESCc1cccc(Cl)c1CC(=O)N=C(N)N
InChIInChI=1S/C10H12ClN3O/c1-6-3-2-4-8(11)7(6)5-9(15)14-10(12)13/h2-4H,5H2,1H3,(H4,12,13,14,15)
InChIKeySRSUDBLBBHOQKH-UHFFFAOYSA-N
MW225.68 g/mol
LogP0.99
Rot. Bonds2

About 2-(2-chloro-6-methylphenyl)-N-(diaminomethylidene)acetamide

2-(2-chloro-6-methylphenyl)-N-(diaminomethylidene)acetamide (PubChem CID 123209700) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 2-(2-chloro-6-methylphenyl)-N-(diaminomethylidene)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-methylphenyl)-N-(diaminomethylidene)acetamide
PubChem CID123209700
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name2-(2-chloro-6-methylphenyl)-N-(diaminomethylidene)acetamide
SMILESCc1cccc(Cl)c1CC(=O)N=C(N)N
InChIInChI=1S/C10H12ClN3O/c1-6-3-2-4-8(11)7(6)5-9(15)14-10(12)13/h2-4H,5H2,1H3,(H4,12,13,14,15)
InChIKeySRSUDBLBBHOQKH-UHFFFAOYSA-N
XLogP0.99
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide
CID 171391513
N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;propyl carbamate;hydrochloride
CID 66686682
2-(2-chloro-6-methylphenyl)-N-(N'-ethylcarbamimidoyl)acetamide
CID 54505860
benzyl carbamate;N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;hydrochloride
CID 66686195
2-[2-[(Z)-but-1-enyl]-3-methylphenyl]-N-(diaminomethylidene)acetamide
CID 178055340
3-(2-chloro-6-methylphenyl)propanoic acid
CID 84733648
2-(2-chloro-6-methylphenyl)ethanamine
CID 84731855
(2-chloro-6-methylphenyl)methanesulfonamide
CID 86163288
2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide
CID 135493715
(2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 925965
N'-amino-2-(2,6-dichlorophenyl)ethanimidamide
CID 76923044
CID 140826953
CID 140826953

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylphenyl)-N-(diaminomethylidene)acetamide?
The IUPAC name of 2-(2-chloro-6-methylphenyl)-N-(diaminomethylidene)acetamide (CID 123209700) is 2-(2-chloro-6-methylphenyl)-N-(diaminomethylidene)acetamide.
What is the SMILES notation for 2-(2-chloro-6-methylphenyl)-N-(diaminomethylidene)acetamide?
The canonical SMILES for 2-(2-chloro-6-methylphenyl)-N-(diaminomethylidene)acetamide is Cc1cccc(Cl)c1CC(=O)N=C(N)N.
What is the InChIKey of 2-(2-chloro-6-methylphenyl)-N-(diaminomethylidene)acetamide?
The InChIKey is SRSUDBLBBHOQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-6-3-2-4-8(11)7(6)5-9(15)14-10(12)13/h2-4H,5H2,1H3,(H4,12,13,14,15).
What are the key properties of 2-(2-chloro-6-methylphenyl)-N-(diaminomethylidene)acetamide?
2-(2-chloro-6-methylphenyl)-N-(diaminomethylidene)acetamide has a molecular weight of 225.68 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylphenyl)-N-(diaminomethylidene)acetamide is sourced from PubChem (CID 123209700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).