4-amino-3-(4-chloro-2-iodoanilino)-N-methylbenzamide

C14H13ClIN3O — CID 107634125

IUPAC4-amino-3-(4-chloro-2-iodoanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Nc2ccc(Cl)cc2I)c1
InChIInChI=1S/C14H13ClIN3O/c1-18-14(20)8-2-4-11(17)13(6-8)19-12-5-3-9(15)7-10(12)16/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyQLYJTKHWLVSCIP-UHFFFAOYSA-N
MW401.64 g/mol
LogP3.63
Rot. Bonds3

About 4-amino-3-(4-chloro-2-iodoanilino)-N-methylbenzamide

4-amino-3-(4-chloro-2-iodoanilino)-N-methylbenzamide (PubChem CID 107634125) has the molecular formula C14H13ClIN3O and a molecular weight of 401.64 g/mol. Its IUPAC name is 4-amino-3-(4-chloro-2-iodoanilino)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-(4-chloro-2-iodoanilino)-N-methylbenzamide
PubChem CID107634125
Molecular FormulaC14H13ClIN3O
Molecular Weight401.64 g/mol
Exact Mass400.98
IUPAC Name4-amino-3-(4-chloro-2-iodoanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Nc2ccc(Cl)cc2I)c1
InChIInChI=1S/C14H13ClIN3O/c1-18-14(20)8-2-4-11(17)13(6-8)19-12-5-3-9(15)7-10(12)16/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyQLYJTKHWLVSCIP-UHFFFAOYSA-N
XLogP3.63
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.64
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-amino-3-(4-chloro-2-iodoanilino)benzoate
CID 107637828
3-amino-4-(2,4-dichloroanilino)-N-methylbenzamide
CID 82988433
3-amino-4-(2,5-dichloroanilino)-N-methylbenzamide
CID 82989111
4-amino-3-(2,5-difluoro-4-methylanilino)-N-methylbenzamide
CID 103584458
4-amino-3-(2,6-difluoroanilino)-N-methylbenzamide
CID 63357203
2-amino-5-(4-chloro-2-iodoanilino)benzamide
CID 107637821
4-amino-3-(4-bromo-2,6-difluoroanilino)-N-methylbenzamide
CID 65468692
4-amino-3-(5-chloro-2-methylanilino)benzoic acid
CID 82790344
4-amino-3-(4-bromo-3-fluoroanilino)-N-methylbenzamide
CID 65436066
N-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide
CID 107632237
2-amino-5-(4-chloro-2-iodoanilino)-4-fluorobenzoic acid
CID 107637840
N-(2-amino-5-chlorophenyl)-4-chlorobenzamide
CID 16771665

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-chloro-2-iodoanilino)-N-methylbenzamide?
The IUPAC name of 4-amino-3-(4-chloro-2-iodoanilino)-N-methylbenzamide (CID 107634125) is 4-amino-3-(4-chloro-2-iodoanilino)-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-(4-chloro-2-iodoanilino)-N-methylbenzamide?
The canonical SMILES for 4-amino-3-(4-chloro-2-iodoanilino)-N-methylbenzamide is CNC(=O)c1ccc(N)c(Nc2ccc(Cl)cc2I)c1.
What is the InChIKey of 4-amino-3-(4-chloro-2-iodoanilino)-N-methylbenzamide?
The InChIKey is QLYJTKHWLVSCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClIN3O/c1-18-14(20)8-2-4-11(17)13(6-8)19-12-5-3-9(15)7-10(12)16/h2-7,19H,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-3-(4-chloro-2-iodoanilino)-N-methylbenzamide?
4-amino-3-(4-chloro-2-iodoanilino)-N-methylbenzamide has a molecular weight of 401.64 g/mol, XLogP of 3.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-chloro-2-iodoanilino)-N-methylbenzamide is sourced from PubChem (CID 107634125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).