2-chloro-N-cycloheptylbenzamide;pyrrolidine

C18H27ClN2O — CID 143233402

IUPAC2-chloro-N-cycloheptylbenzamide;pyrrolidine
SMILESC1CCNC1.O=C(NC1CCCCCC1)c1ccccc1Cl
InChIInChI=1S/C14H18ClNO.C4H9N/c15-13-10-6-5-9-12(13)14(17)16-11-7-3-1-2-4-8-11;1-2-4-5-3-1/h5-6,9-11H,1-4,7-8H2,(H,16,17);5H,1-4H2
InChIKeyKWNDMZNHGHESHN-UHFFFAOYSA-N
MW322.88 g/mol
LogP4.16
Rot. Bonds2

About 2-chloro-N-cycloheptylbenzamide;pyrrolidine

2-chloro-N-cycloheptylbenzamide;pyrrolidine (PubChem CID 143233402) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 2-chloro-N-cycloheptylbenzamide;pyrrolidine.

Molecular Properties

Compound Name2-chloro-N-cycloheptylbenzamide;pyrrolidine
PubChem CID143233402
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name2-chloro-N-cycloheptylbenzamide;pyrrolidine
SMILESC1CCNC1.O=C(NC1CCCCCC1)c1ccccc1Cl
InChIInChI=1S/C14H18ClNO.C4H9N/c15-13-10-6-5-9-12(13)14(17)16-11-7-3-1-2-4-8-11;1-2-4-5-3-1/h5-6,9-11H,1-4,7-8H2,(H,16,17);5H,1-4H2
InChIKeyKWNDMZNHGHESHN-UHFFFAOYSA-N
XLogP4.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cycloheptylbenzamide;pyrrolidine?
The IUPAC name of 2-chloro-N-cycloheptylbenzamide;pyrrolidine (CID 143233402) is 2-chloro-N-cycloheptylbenzamide;pyrrolidine.
What is the SMILES notation for 2-chloro-N-cycloheptylbenzamide;pyrrolidine?
The canonical SMILES for 2-chloro-N-cycloheptylbenzamide;pyrrolidine is C1CCNC1.O=C(NC1CCCCCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-cycloheptylbenzamide;pyrrolidine?
The InChIKey is KWNDMZNHGHESHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO.C4H9N/c15-13-10-6-5-9-12(13)14(17)16-11-7-3-1-2-4-8-11;1-2-4-5-3-1/h5-6,9-11H,1-4,7-8H2,(H,16,17);5H,1-4H2.
What are the key properties of 2-chloro-N-cycloheptylbenzamide;pyrrolidine?
2-chloro-N-cycloheptylbenzamide;pyrrolidine has a molecular weight of 322.88 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cycloheptylbenzamide;pyrrolidine is sourced from PubChem (CID 143233402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).