N-[(3,4-difluorophenyl)methyl]-3-iodoaniline

C13H10F2IN — CID 28879228

IUPACN-[(3,4-difluorophenyl)methyl]-3-iodoaniline
SMILESFc1ccc(CNc2cccc(I)c2)cc1F
InChIInChI=1S/C13H10F2IN/c14-12-5-4-9(6-13(12)15)8-17-11-3-1-2-10(16)7-11/h1-7,17H,8H2
InChIKeyJWVORNJHXNDYMX-UHFFFAOYSA-N
MW345.13 g/mol
LogP4.18
Rot. Bonds3

About N-[(3,4-difluorophenyl)methyl]-3-iodoaniline

N-[(3,4-difluorophenyl)methyl]-3-iodoaniline (PubChem CID 28879228) has the molecular formula C13H10F2IN and a molecular weight of 345.13 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-iodoaniline.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3-iodoaniline
PubChem CID28879228
Molecular FormulaC13H10F2IN
Molecular Weight345.13 g/mol
Exact Mass344.98
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3-iodoaniline
SMILESFc1ccc(CNc2cccc(I)c2)cc1F
InChIInChI=1S/C13H10F2IN/c14-12-5-4-9(6-13(12)15)8-17-11-3-1-2-10(16)7-11/h1-7,17H,8H2
InChIKeyJWVORNJHXNDYMX-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.13
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-iodoaniline
CID 28879212
N-[(2-fluorophenyl)methyl]-3-iodoaniline
CID 28879188
N-[(3,4-difluorophenyl)methyl]-3-nitroaniline
CID 43425288
3-bromo-N-[(3,4-difluorophenyl)methyl]-4-fluoroaniline
CID 115650344
N-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline
CID 28977429
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
CID 43721394
2-fluoro-6-[(3-iodoanilino)methyl]phenol
CID 112606354
N-[(3-bromo-4-methoxyphenyl)methyl]-3-iodoaniline
CID 43229966
N-benzyl-3,4-difluoroaniline
CID 21321396
2-fluoro-N-(3-iodophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106029453
2,6-dichloro-N-[(3,4-difluorophenyl)methyl]aniline
CID 65469695
3-chloro-N-[(4-iodophenyl)methyl]aniline
CID 65477156

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-iodoaniline?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-iodoaniline (CID 28879228) is N-[(3,4-difluorophenyl)methyl]-3-iodoaniline.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-iodoaniline?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-iodoaniline is Fc1ccc(CNc2cccc(I)c2)cc1F.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-iodoaniline?
The InChIKey is JWVORNJHXNDYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2IN/c14-12-5-4-9(6-13(12)15)8-17-11-3-1-2-10(16)7-11/h1-7,17H,8H2.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-iodoaniline?
N-[(3,4-difluorophenyl)methyl]-3-iodoaniline has a molecular weight of 345.13 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3-iodoaniline is sourced from PubChem (CID 28879228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).