3-[(2-chlorophenyl)methylamino]-N-iminobenzenecarboximidamide

C14H13ClN4 — CID 142223657

IUPAC3-[(2-chlorophenyl)methylamino]-N-iminobenzenecarboximidamide
SMILES[H]/N=C(\N=N\[H])c1cccc(NCc2ccccc2Cl)c1
InChIInChI=1S/C14H13ClN4/c15-13-7-2-1-4-11(13)9-18-12-6-3-5-10(8-12)14(16)19-17/h1-8,16-18H,9H2/b16-14-,19-17+
InChIKeyPTZAMKBDMHHJTK-JWCBKIGOSA-N
MW272.74 g/mol
LogP4.31
Rot. Bonds4

About 3-[(2-chlorophenyl)methylamino]-N-iminobenzenecarboximidamide

3-[(2-chlorophenyl)methylamino]-N-iminobenzenecarboximidamide (PubChem CID 142223657) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylamino]-N-iminobenzenecarboximidamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylamino]-N-iminobenzenecarboximidamide
PubChem CID142223657
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name3-[(2-chlorophenyl)methylamino]-N-iminobenzenecarboximidamide
SMILES[H]/N=C(\N=N\[H])c1cccc(NCc2ccccc2Cl)c1
InChIInChI=1S/C14H13ClN4/c15-13-7-2-1-4-11(13)9-18-12-6-3-5-10(8-12)14(16)19-17/h1-8,16-18H,9H2/b16-14-,19-17+
InChIKeyPTZAMKBDMHHJTK-JWCBKIGOSA-N
XLogP4.31
TPSA72.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 142223846
3-(benzylamino)-N-hydrazinylidenebenzenecarboximidamide
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N-[(2-chlorophenyl)methyl]-3-methoxyaniline
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3-[(2-chlorophenyl)methylcarbamoylamino]benzoic acid
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3-bromo-5-[(2-chlorophenyl)methylamino]benzoic acid
CID 102822404
3-[(3-chloro-2-fluorophenyl)methylamino]benzamide
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4-[3-[(2-chlorophenyl)methylamino]phenoxy]butanenitrile
CID 60943994
4-[(2-chlorophenyl)methylamino]phenol
CID 18778398
N-[(2-chlorophenyl)methyl]quinoxalin-6-amine
CID 54863546
2-amino-5-[(2-chlorophenyl)methylamino]benzoic acid
CID 54887803
3-[(2-hydroxyphenyl)methylamino]benzamide
CID 28650539
1-[3-[2-(2-chlorophenyl)ethylamino]phenyl]ethanone
CID 75397038

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylamino]-N-iminobenzenecarboximidamide?
The IUPAC name of 3-[(2-chlorophenyl)methylamino]-N-iminobenzenecarboximidamide (CID 142223657) is 3-[(2-chlorophenyl)methylamino]-N-iminobenzenecarboximidamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methylamino]-N-iminobenzenecarboximidamide?
The canonical SMILES for 3-[(2-chlorophenyl)methylamino]-N-iminobenzenecarboximidamide is [H]/N=C(\N=N\[H])c1cccc(NCc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)methylamino]-N-iminobenzenecarboximidamide?
The InChIKey is PTZAMKBDMHHJTK-JWCBKIGOSA-N. The full InChI is InChI=1S/C14H13ClN4/c15-13-7-2-1-4-11(13)9-18-12-6-3-5-10(8-12)14(16)19-17/h1-8,16-18H,9H2/b16-14-,19-17+.
What are the key properties of 3-[(2-chlorophenyl)methylamino]-N-iminobenzenecarboximidamide?
3-[(2-chlorophenyl)methylamino]-N-iminobenzenecarboximidamide has a molecular weight of 272.74 g/mol, XLogP of 4.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylamino]-N-iminobenzenecarboximidamide is sourced from PubChem (CID 142223657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).