2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-iminoacetic acid

C15H13ClN2O2 — CID 143179363

IUPAC2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-iminoacetic acid
SMILES[H]/N=C(\C(=O)O)c1ccccc1NCc1ccccc1Cl
InChIInChI=1S/C15H13ClN2O2/c16-12-7-3-1-5-10(12)9-18-13-8-4-2-6-11(13)14(17)15(19)20/h1-8,17-18H,9H2,(H,19,20)/b17-14-
InChIKeyNQGLUAVRFFWTAP-VKAVYKQESA-N
MW288.73 g/mol
LogP3.40
Rot. Bonds5

About 2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-iminoacetic acid

2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-iminoacetic acid (PubChem CID 143179363) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-iminoacetic acid.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-iminoacetic acid
PubChem CID143179363
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-iminoacetic acid
SMILES[H]/N=C(\C(=O)O)c1ccccc1NCc1ccccc1Cl
InChIInChI=1S/C15H13ClN2O2/c16-12-7-3-1-5-10(12)9-18-13-8-4-2-6-11(13)14(17)15(19)20/h1-8,17-18H,9H2,(H,19,20)/b17-14-
InChIKeyNQGLUAVRFFWTAP-VKAVYKQESA-N
XLogP3.40
TPSA73.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-chlorophenyl)methylamino]benzoate
CID 43087858
2-[(3-chloro-2-hydroxyphenyl)methylamino]benzoic acid
CID 112606376
2-[2-[(2-chlorophenyl)methylamino]phenyl]acetamide
CID 43738427
2-imino-2-[2-(propan-2-ylamino)phenyl]acetic acid
CID 145020481
2-[2-[(2,3-dichloroanilino)methyl]phenyl]acetic acid
CID 115461544
2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-methylpropanoic acid
CID 110452184
2-[2-[(2,4-dichlorophenyl)methylamino]phenyl]-2-imino-N-(1,3-thiazol-2-yl)acetamide
CID 163876538
2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid
CID 81313237
2-[2-[(2-chloro-4-methylphenyl)methylamino]-3-pyridinyl]-2-iminoacetic acid
CID 143192070
2-[2-[(2-chloroanilino)methyl]phenyl]acetamide
CID 21235296
2-[(2,3-dichloroanilino)methyl]benzamide
CID 28774931
2-[2-[(3-chloro-2-fluoroanilino)methyl]phenyl]acetic acid
CID 115461558

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-iminoacetic acid?
The IUPAC name of 2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-iminoacetic acid (CID 143179363) is 2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-iminoacetic acid.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-iminoacetic acid?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-iminoacetic acid is [H]/N=C(\C(=O)O)c1ccccc1NCc1ccccc1Cl.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-iminoacetic acid?
The InChIKey is NQGLUAVRFFWTAP-VKAVYKQESA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-12-7-3-1-5-10(12)9-18-13-8-4-2-6-11(13)14(17)15(19)20/h1-8,17-18H,9H2,(H,19,20)/b17-14-.
What are the key properties of 2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-iminoacetic acid?
2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-iminoacetic acid has a molecular weight of 288.73 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-iminoacetic acid is sourced from PubChem (CID 143179363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).