2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride

C14H15Cl2N5 — CID 88525576

IUPAC2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C(\c1ccccc1)c1cc(Cl)ccc1N
InChIInChI=1S/C14H14ClN5.ClH/c15-10-6-7-12(16)11(8-10)13(19-20-14(17)18)9-4-2-1-3-5-9;/h1-8H,16H2,(H4,17,18,20);1H/b19-13+;
InChIKeyLXLVETSTEZITRY-XTWSRORZSA-N
MW324.22 g/mol
LogP2.37
Rot. Bonds3

About 2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride

2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride (PubChem CID 88525576) has the molecular formula C14H15Cl2N5 and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride
PubChem CID88525576
Molecular FormulaC14H15Cl2N5
Molecular Weight324.22 g/mol
Exact Mass323.07
IUPAC Name2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C(\c1ccccc1)c1cc(Cl)ccc1N
InChIInChI=1S/C14H14ClN5.ClH/c15-10-6-7-12(16)11(8-10)13(19-20-14(17)18)9-4-2-1-3-5-9;/h1-8H,16H2,(H4,17,18,20);1H/b19-13+;
InChIKeyLXLVETSTEZITRY-XTWSRORZSA-N
XLogP2.37
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.37
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'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol
CID 3627789
2-[N-(2-aminopropyl)-C-phenylcarbonimidoyl]-4-chloroaniline
CID 21407690
4-chloro-2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]aniline
CID 54568106
2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine
CID 135460269
2-[(E)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine
CID 135407116
2-amino-5-chloro-N-(diaminomethylidene)benzamide
CID 11806026
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone;hydrochloride
CID 23355179
2-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]guanidine
CID 5474390
4-bromo-2-(C-phenylcarbonohydrazonoyl)aniline
CID 625740
N-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine
CID 555684
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
[2-(2-amino-5-chlorophenyl)phenyl]-phenylmethanone
CID 139344273

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride (CID 88525576) is 2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride is Cl.NC(N)=N/N=C(\c1ccccc1)c1cc(Cl)ccc1N.
What is the InChIKey of 2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride?
The InChIKey is LXLVETSTEZITRY-XTWSRORZSA-N. The full InChI is InChI=1S/C14H14ClN5.ClH/c15-10-6-7-12(16)11(8-10)13(19-20-14(17)18)9-4-2-1-3-5-9;/h1-8H,16H2,(H4,17,18,20);1H/b19-13+;.
What are the key properties of 2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride?
2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride has a molecular weight of 324.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride is sourced from PubChem (CID 88525576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).