4-chloro-N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)butanamide

C16H20ClNO2 — CID 19838455

IUPAC4-chloro-N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)butanamide
SMILESO=C(CCCCl)NC1CCc2cc3c(cc2C1)OCC3
InChIInChI=1S/C16H20ClNO2/c17-6-1-2-16(19)18-14-4-3-11-8-12-5-7-20-15(12)10-13(11)9-14/h8,10,14H,1-7,9H2,(H,18,19)
InChIKeySFVZQWWRBGWCPJ-UHFFFAOYSA-N
MW293.79 g/mol
LogP2.61
Rot. Bonds4

About 4-chloro-N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)butanamide

4-chloro-N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)butanamide (PubChem CID 19838455) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 4-chloro-N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)butanamide
PubChem CID19838455
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name4-chloro-N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)butanamide
SMILESO=C(CCCCl)NC1CCc2cc3c(cc2C1)OCC3
InChIInChI=1S/C16H20ClNO2/c17-6-1-2-16(19)18-14-4-3-11-8-12-5-7-20-15(12)10-13(11)9-14/h8,10,14H,1-7,9H2,(H,18,19)
InChIKeySFVZQWWRBGWCPJ-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-ylamino)heptanoic acid
CID 14234819
7-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-ylamino)octanoic acid;hydrochloride
CID 70395700
4-chloro-N-cyclopropylbutanamide
CID 5152347
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
4-chloro-N-(oxolan-3-yl)butanamide
CID 80717187
4-chloro-N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]butanamide
CID 7564022
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide
CID 55349403
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 11775776
2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 100968562
5-chloro-N-(oxan-3-yl)pentanamide
CID 63363269
N-cyclopentyl-2-(3,4-dihydro-2H-chromen-6-yl)acetamide
CID 110771100
N-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl)-4-chlorobutanamide
CID 165477169

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)butanamide?
The IUPAC name of 4-chloro-N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)butanamide (CID 19838455) is 4-chloro-N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)butanamide.
What is the SMILES notation for 4-chloro-N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)butanamide?
The canonical SMILES for 4-chloro-N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)butanamide is O=C(CCCCl)NC1CCc2cc3c(cc2C1)OCC3.
What is the InChIKey of 4-chloro-N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)butanamide?
The InChIKey is SFVZQWWRBGWCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c17-6-1-2-16(19)18-14-4-3-11-8-12-5-7-20-15(12)10-13(11)9-14/h8,10,14H,1-7,9H2,(H,18,19).
What are the key properties of 4-chloro-N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)butanamide?
4-chloro-N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)butanamide has a molecular weight of 293.79 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)butanamide is sourced from PubChem (CID 19838455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).