N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide

C16H15IN2O — CID 60674055

IUPACN-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(c1cccc(I)c1)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C16H15IN2O/c17-14-3-1-2-13(10-14)16(20)19(15-4-5-15)11-12-6-8-18-9-7-12/h1-3,6-10,15H,4-5,11H2
InChIKeyZFSLXSZHOAOCGZ-UHFFFAOYSA-N
MW378.21 g/mol
LogP3.49
Rot. Bonds4

About N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide

N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 60674055) has the molecular formula C16H15IN2O and a molecular weight of 378.21 g/mol. Its IUPAC name is N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide
PubChem CID60674055
Molecular FormulaC16H15IN2O
Molecular Weight378.21 g/mol
Exact Mass378.02
IUPAC NameN-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(c1cccc(I)c1)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C16H15IN2O/c17-14-3-1-2-13(10-14)16(20)19(15-4-5-15)11-12-6-8-18-9-7-12/h1-3,6-10,15H,4-5,11H2
InChIKeyZFSLXSZHOAOCGZ-UHFFFAOYSA-N
XLogP3.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011279
N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide
CID 61400460
N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide
CID 47017136
N-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55412191
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
3-amino-N-benzyl-N-cyclopropylbenzamide
CID 43574369
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-iodobenzamide
CID 47212490
ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate
CID 61400649
N-cyclopropyl-4-(1,3-dithiolan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 86919919
N-[(4-aminophenyl)methyl]-3-bromo-N-cyclopropylbenzamide
CID 43460527
N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide
CID 43460553

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide (CID 60674055) is N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide is O=C(c1cccc(I)c1)N(Cc1ccncc1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is ZFSLXSZHOAOCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O/c17-14-3-1-2-13(10-14)16(20)19(15-4-5-15)11-12-6-8-18-9-7-12/h1-3,6-10,15H,4-5,11H2.
What are the key properties of N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide?
N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 378.21 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 60674055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).