N-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide

C14H15ClINO — CID 103766784

IUPACN-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)C1C2CCCCC21
InChIInChI=1S/C14H15ClINO/c15-8-5-6-12(11(16)7-8)17-14(18)13-9-3-1-2-4-10(9)13/h5-7,9-10,13H,1-4H2,(H,17,18)
InChIKeyRFPPVSAAAKUECY-UHFFFAOYSA-N
MW375.64 g/mol
LogP4.32
Rot. Bonds2

About N-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide

N-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 103766784) has the molecular formula C14H15ClINO and a molecular weight of 375.64 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID103766784
Molecular FormulaC14H15ClINO
Molecular Weight375.64 g/mol
Exact Mass374.99
IUPAC NameN-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)C1C2CCCCC21
InChIInChI=1S/C14H15ClINO/c15-8-5-6-12(11(16)7-8)17-14(18)13-9-3-1-2-4-10(9)13/h5-7,9-10,13H,1-4H2,(H,17,18)
InChIKeyRFPPVSAAAKUECY-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.64
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide
CID 107640629
4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107629484
N-(4-chloro-2-iodophenyl)thiolane-2-carboxamide
CID 103766813
N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide
CID 103766842
N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 107625589
N-(4-bromo-2-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79139023
N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 103766910
1-(4-chloro-2-iodophenyl)-2-cyclopropylguanidine
CID 107638204
N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 103767711
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
1-amino-3-(4-chloro-2-iodophenyl)urea
CID 107629399
(1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99646705

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide (CID 103766784) is N-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide is O=C(Nc1ccc(Cl)cc1I)C1C2CCCCC21.
What is the InChIKey of N-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is RFPPVSAAAKUECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClINO/c15-8-5-6-12(11(16)7-8)17-14(18)13-9-3-1-2-4-10(9)13/h5-7,9-10,13H,1-4H2,(H,17,18).
What are the key properties of N-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide?
N-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 375.64 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 103766784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).