N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide

C17H17IN2O — CID 43460874

IUPACN-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide
SMILESNc1ccccc1CN(C(=O)c1ccc(I)cc1)C1CC1
InChIInChI=1S/C17H17IN2O/c18-14-7-5-12(6-8-14)17(21)20(15-9-10-15)11-13-3-1-2-4-16(13)19/h1-8,15H,9-11,19H2
InChIKeyWDZUWXQGWYBOJN-UHFFFAOYSA-N
MW392.24 g/mol
LogP3.68
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide

N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide (PubChem CID 43460874) has the molecular formula C17H17IN2O and a molecular weight of 392.24 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide
PubChem CID43460874
Molecular FormulaC17H17IN2O
Molecular Weight392.24 g/mol
Exact Mass392.04
IUPAC NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide
SMILESNc1ccccc1CN(C(=O)c1ccc(I)cc1)C1CC1
InChIInChI=1S/C17H17IN2O/c18-14-7-5-12(6-8-14)17(21)20(15-9-10-15)11-13-3-1-2-4-16(13)19/h1-8,15H,9-11,19H2
InChIKeyWDZUWXQGWYBOJN-UHFFFAOYSA-N
XLogP3.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide
CID 102921257
N-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide
CID 43458354
N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide
CID 60731680
N-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 65214178
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide
CID 43460915
4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide
CID 60938975
N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide
CID 43460892
N-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide
CID 43460891
ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate
CID 43460945
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide
CID 55102715
N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide
CID 55091731
ethyl 2-[cyclopropyl-(4-iodobenzoyl)amino]acetate
CID 61400648

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide (CID 43460874) is N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide is Nc1ccccc1CN(C(=O)c1ccc(I)cc1)C1CC1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide?
The InChIKey is WDZUWXQGWYBOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O/c18-14-7-5-12(6-8-14)17(21)20(15-9-10-15)11-13-3-1-2-4-16(13)19/h1-8,15H,9-11,19H2.
What are the key properties of N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide?
N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide has a molecular weight of 392.24 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide is sourced from PubChem (CID 43460874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).