3-[(4-chloro-2-iodoanilino)methyl]benzamide

C14H12ClIN2O — CID 103764653

IUPAC3-[(4-chloro-2-iodoanilino)methyl]benzamide
SMILESNC(=O)c1cccc(CNc2ccc(Cl)cc2I)c1
InChIInChI=1S/C14H12ClIN2O/c15-11-4-5-13(12(16)7-11)18-8-9-2-1-3-10(6-9)14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyVJSKEZVGYPWBBI-UHFFFAOYSA-N
MW386.62 g/mol
LogP3.66
Rot. Bonds4

About 3-[(4-chloro-2-iodoanilino)methyl]benzamide

3-[(4-chloro-2-iodoanilino)methyl]benzamide (PubChem CID 103764653) has the molecular formula C14H12ClIN2O and a molecular weight of 386.62 g/mol. Its IUPAC name is 3-[(4-chloro-2-iodoanilino)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-chloro-2-iodoanilino)methyl]benzamide
PubChem CID103764653
Molecular FormulaC14H12ClIN2O
Molecular Weight386.62 g/mol
Exact Mass385.97
IUPAC Name3-[(4-chloro-2-iodoanilino)methyl]benzamide
SMILESNC(=O)c1cccc(CNc2ccc(Cl)cc2I)c1
InChIInChI=1S/C14H12ClIN2O/c15-11-4-5-13(12(16)7-11)18-8-9-2-1-3-10(6-9)14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyVJSKEZVGYPWBBI-UHFFFAOYSA-N
XLogP3.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.62
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-bromo-4-chloroanilino)methyl]benzamide
CID 80979619
N-benzyl-4-chloro-2-iodoaniline
CID 71507320
3-[(3,5-dichloroanilino)methyl]benzamide
CID 28576195
2-[(3-aminophenyl)methylamino]-5-chlorobenzamide
CID 62500264
3-[(2,4-dimethylanilino)methyl]benzamide
CID 28564440
3-[(4-chloro-3-fluoroanilino)methyl]benzamide
CID 61467366
3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide
CID 83077384
3-[(2-cyanoanilino)methyl]benzamide
CID 28580909
3-[(2-amino-5-fluoroanilino)methyl]benzamide
CID 123298867
3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide
CID 28529683
3-[(carbamoylamino)methyl]benzamide
CID 166184789
4-[(4-chloro-2-methylanilino)methyl]benzamide
CID 43234717

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-iodoanilino)methyl]benzamide?
The IUPAC name of 3-[(4-chloro-2-iodoanilino)methyl]benzamide (CID 103764653) is 3-[(4-chloro-2-iodoanilino)methyl]benzamide.
What is the SMILES notation for 3-[(4-chloro-2-iodoanilino)methyl]benzamide?
The canonical SMILES for 3-[(4-chloro-2-iodoanilino)methyl]benzamide is NC(=O)c1cccc(CNc2ccc(Cl)cc2I)c1.
What is the InChIKey of 3-[(4-chloro-2-iodoanilino)methyl]benzamide?
The InChIKey is VJSKEZVGYPWBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIN2O/c15-11-4-5-13(12(16)7-11)18-8-9-2-1-3-10(6-9)14(17)19/h1-7,18H,8H2,(H2,17,19).
What are the key properties of 3-[(4-chloro-2-iodoanilino)methyl]benzamide?
3-[(4-chloro-2-iodoanilino)methyl]benzamide has a molecular weight of 386.62 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-iodoanilino)methyl]benzamide is sourced from PubChem (CID 103764653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).