2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-iodoaniline

C14H11ClF2INO — CID 43733617

IUPAC2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-iodoaniline
SMILESFC(F)Oc1ccc(CNc2ccc(I)cc2Cl)cc1
InChIInChI=1S/C14H11ClF2INO/c15-12-7-10(18)3-6-13(12)19-8-9-1-4-11(5-2-9)20-14(16)17/h1-7,14,19H,8H2
InChIKeyVWMGOGPCLADXKC-UHFFFAOYSA-N
MW409.60 g/mol
LogP5.16
Rot. Bonds5

About 2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-iodoaniline

2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-iodoaniline (PubChem CID 43733617) has the molecular formula C14H11ClF2INO and a molecular weight of 409.60 g/mol. Its IUPAC name is 2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-iodoaniline.

Molecular Properties

Compound Name2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-iodoaniline
PubChem CID43733617
Molecular FormulaC14H11ClF2INO
Molecular Weight409.60 g/mol
Exact Mass408.95
IUPAC Name2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-iodoaniline
SMILESFC(F)Oc1ccc(CNc2ccc(I)cc2Cl)cc1
InChIInChI=1S/C14H11ClF2INO/c15-12-7-10(18)3-6-13(12)19-8-9-1-4-11(5-2-9)20-14(16)17/h1-7,14,19H,8H2
InChIKeyVWMGOGPCLADXKC-UHFFFAOYSA-N
XLogP5.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.60
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-4-iodoaniline
CID 115523740
[4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol
CID 111466189
2-bromo-4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]aniline
CID 81264495
N-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline
CID 28977429
2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-iodoaniline
CID 43788803
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-iodoaniline
CID 43733612
N-[(4-bromo-3-fluorophenyl)methyl]-2-chloro-4-iodoaniline
CID 81436146
2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine
CID 80524115
4-[(2-chloro-4-iodoanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 107606996
4-[(2-chloro-4-iodoanilino)methyl]-2-fluorobenzoic acid
CID 107607122
N-[(3-bromo-4-chlorophenyl)methyl]-4-(difluoromethoxy)aniline
CID 83235363
2-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-4-iodoaniline
CID 63445412

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-iodoaniline?
The IUPAC name of 2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-iodoaniline (CID 43733617) is 2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-iodoaniline.
What is the SMILES notation for 2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-iodoaniline?
The canonical SMILES for 2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-iodoaniline is FC(F)Oc1ccc(CNc2ccc(I)cc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-iodoaniline?
The InChIKey is VWMGOGPCLADXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2INO/c15-12-7-10(18)3-6-13(12)19-8-9-1-4-11(5-2-9)20-14(16)17/h1-7,14,19H,8H2.
What are the key properties of 2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-iodoaniline?
2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-iodoaniline has a molecular weight of 409.60 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-iodoaniline is sourced from PubChem (CID 43733617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).