3-chloro-N-cycloheptylpropanamide

C10H18ClNO — CID 5152151

IUPAC3-chloro-N-cycloheptylpropanamide
SMILESO=C(CCCl)NC1CCCCCC1
InChIInChI=1S/C10H18ClNO/c11-8-7-10(13)12-9-5-3-1-2-4-6-9/h9H,1-8H2,(H,12,13)
InChIKeyLEIHDNGIJLYRBH-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.45
Rot. Bonds3

About 3-chloro-N-cycloheptylpropanamide

3-chloro-N-cycloheptylpropanamide (PubChem CID 5152151) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 3-chloro-N-cycloheptylpropanamide.

Molecular Properties

Compound Name3-chloro-N-cycloheptylpropanamide
PubChem CID5152151
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name3-chloro-N-cycloheptylpropanamide
SMILESO=C(CCCl)NC1CCCCCC1
InChIInChI=1S/C10H18ClNO/c11-8-7-10(13)12-9-5-3-1-2-4-6-9/h9H,1-8H2,(H,12,13)
InChIKeyLEIHDNGIJLYRBH-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-cyclooctylpentanamide
CID 28733608
N-cyclooctylbutanamide
CID 4614062
2-chloro-N-cyclododecylacetamide
CID 4285747
4-chloro-N-cyclopropylbutanamide
CID 5152347
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888
3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 43568420
N-cyclohexyl-5-hydroxypentanamide
CID 11367641
3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 43701255
3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide
CID 81391715
3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide
CID 18526970
N-cycloheptyl-3-methoxypropanamide
CID 110839127

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cycloheptylpropanamide?
The IUPAC name of 3-chloro-N-cycloheptylpropanamide (CID 5152151) is 3-chloro-N-cycloheptylpropanamide.
What is the SMILES notation for 3-chloro-N-cycloheptylpropanamide?
The canonical SMILES for 3-chloro-N-cycloheptylpropanamide is O=C(CCCl)NC1CCCCCC1.
What is the InChIKey of 3-chloro-N-cycloheptylpropanamide?
The InChIKey is LEIHDNGIJLYRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c11-8-7-10(13)12-9-5-3-1-2-4-6-9/h9H,1-8H2,(H,12,13).
What are the key properties of 3-chloro-N-cycloheptylpropanamide?
3-chloro-N-cycloheptylpropanamide has a molecular weight of 203.71 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cycloheptylpropanamide is sourced from PubChem (CID 5152151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).