3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide

C16H20ClIN2O — CID 106608291

IUPAC3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(c1ccc(I)c(Cl)c1)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H20ClIN2O/c17-14-8-12(5-6-15(14)18)16(21)20(9-11-3-4-11)10-13-2-1-7-19-13/h5-6,8,11,13,19H,1-4,7,9-10H2
InChIKeyZOMOTRIIMXHOFT-UHFFFAOYSA-N
MW418.71 g/mol
LogP3.55
Rot. Bonds5

About 3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide

3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106608291) has the molecular formula C16H20ClIN2O and a molecular weight of 418.71 g/mol. Its IUPAC name is 3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106608291
Molecular FormulaC16H20ClIN2O
Molecular Weight418.71 g/mol
Exact Mass418.03
IUPAC Name3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(c1ccc(I)c(Cl)c1)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H20ClIN2O/c17-14-8-12(5-6-15(14)18)16(21)20(9-11-3-4-11)10-13-2-1-7-19-13/h5-6,8,11,13,19H,1-4,7,9-10H2
InChIKeyZOMOTRIIMXHOFT-UHFFFAOYSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.71
LogP ≤ 53.55
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

N-(cyclopropylmethyl)-3,4-dihydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107728841
N-(cyclopropylmethyl)-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608699
3-chloro-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806363
N-(cyclopropylmethyl)-3-fluoro-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608710
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608439
4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608555
N-(cyclopropylmethyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)-1H-pyridine-3-carboxamide
CID 106608307
3-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide
CID 103209649
N-(cyclopropylmethyl)-2-hydroxy-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107732244
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608308
3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608668
5-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 106608722

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106608291) is 3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide is O=C(c1ccc(I)c(Cl)c1)N(CC1CC1)CC1CCCN1.
What is the InChIKey of 3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is ZOMOTRIIMXHOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClIN2O/c17-14-8-12(5-6-15(14)18)16(21)20(9-11-3-4-11)10-13-2-1-7-19-13/h5-6,8,11,13,19H,1-4,7,9-10H2.
What are the key properties of 3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide?
3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 418.71 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106608291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).