2-(2-benzoyl-5-chlorophenyl)-1-(diaminomethylidene)guanidine

C15H14ClN5O — CID 168601925

IUPAC2-(2-benzoyl-5-chlorophenyl)-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/c1cc(Cl)ccc1C(=O)c1ccccc1
InChIInChI=1S/C15H14ClN5O/c16-10-6-7-11(13(22)9-4-2-1-3-5-9)12(8-10)20-15(19)21-14(17)18/h1-8H,(H6,17,18,19,20,21)
InChIKeyKFBITWMNEPENCY-UHFFFAOYSA-N
MW315.76 g/mol
LogP1.79
Rot. Bonds3

About 2-(2-benzoyl-5-chlorophenyl)-1-(diaminomethylidene)guanidine

2-(2-benzoyl-5-chlorophenyl)-1-(diaminomethylidene)guanidine (PubChem CID 168601925) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-(2-benzoyl-5-chlorophenyl)-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-(2-benzoyl-5-chlorophenyl)-1-(diaminomethylidene)guanidine
PubChem CID168601925
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name2-(2-benzoyl-5-chlorophenyl)-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/c1cc(Cl)ccc1C(=O)c1ccccc1
InChIInChI=1S/C15H14ClN5O/c16-10-6-7-11(13(22)9-4-2-1-3-5-9)12(8-10)20-15(19)21-14(17)18/h1-8H,(H6,17,18,19,20,21)
InChIKeyKFBITWMNEPENCY-UHFFFAOYSA-N
XLogP1.79
TPSA119.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

2-(2-benzoyl-4-fluorophenyl)-1-(diaminomethylidene)guanidine
CID 168601860
2-[[amino-(diaminomethylideneamino)methylidene]amino]-5-chlorobenzoic acid
CID 168605986
2-[2-(4-chlorobenzoyl)-4,5-dimethoxyphenyl]-1-(diaminomethylidene)guanidine
CID 168601995
3-(2-benzoyl-5-chlorophenyl)propanamide
CID 19903203
benzamide;2-benzoyl-5-chlorobenzenesulfonamide
CID 174396594
N'-(2,5-dichlorophenyl)benzenecarboximidamide
CID 4119968
2-benzoyl-5-chlorobenzenesulfonyl chloride
CID 154105826
methyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate
CID 139227476
[5-chloro-2-[(4-chlorophenyl)diazenyl]phenyl]-phenylmethanone
CID 102337066
(5-chloro-2-isothiocyanatophenyl)-phenylmethanone
CID 5200219
2-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]-1-(diaminomethylidene)guanidine
CID 168602205
2-[2-(aminomethyl)-4-chlorophenyl]-1-(diaminomethylidene)guanidine;hydrochloride
CID 174494606

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoyl-5-chlorophenyl)-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-(2-benzoyl-5-chlorophenyl)-1-(diaminomethylidene)guanidine (CID 168601925) is 2-(2-benzoyl-5-chlorophenyl)-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-(2-benzoyl-5-chlorophenyl)-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-(2-benzoyl-5-chlorophenyl)-1-(diaminomethylidene)guanidine is NC(N)=N/C(N)=N/c1cc(Cl)ccc1C(=O)c1ccccc1.
What is the InChIKey of 2-(2-benzoyl-5-chlorophenyl)-1-(diaminomethylidene)guanidine?
The InChIKey is KFBITWMNEPENCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c16-10-6-7-11(13(22)9-4-2-1-3-5-9)12(8-10)20-15(19)21-14(17)18/h1-8H,(H6,17,18,19,20,21).
What are the key properties of 2-(2-benzoyl-5-chlorophenyl)-1-(diaminomethylidene)guanidine?
2-(2-benzoyl-5-chlorophenyl)-1-(diaminomethylidene)guanidine has a molecular weight of 315.76 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoyl-5-chlorophenyl)-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 168601925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).