2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide

C16H18ClNO3 — CID 121133050

IUPAC2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide
SMILESCc1cc(C(O)CCNC(=O)c2ccccc2Cl)c(C)o1
InChIInChI=1S/C16H18ClNO3/c1-10-9-13(11(2)21-10)15(19)7-8-18-16(20)12-5-3-4-6-14(12)17/h3-6,9,15,19H,7-8H2,1-2H3,(H,18,20)
InChIKeyKMZBQMYYRBIWBT-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.40
Rot. Bonds5

About 2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide

2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide (PubChem CID 121133050) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide
PubChem CID121133050
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide
SMILESCc1cc(C(O)CCNC(=O)c2ccccc2Cl)c(C)o1
InChIInChI=1S/C16H18ClNO3/c1-10-9-13(11(2)21-10)15(19)7-8-18-16(20)12-5-3-4-6-14(12)17/h3-6,9,15,19H,7-8H2,1-2H3,(H,18,20)
InChIKeyKMZBQMYYRBIWBT-UHFFFAOYSA-N
XLogP3.40
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide
CID 97042845
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 121133032
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-nitrobenzamide
CID 121133067
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethylbenzamide
CID 121133041
N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-oxochromene-3-carboxamide
CID 97042914
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide
CID 121133057
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-methyl-3-nitrobenzamide
CID 121133079
N'-(3-chloro-2-methylphenyl)-N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
CID 97042989
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide
CID 121133086
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide
CID 121133019
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-methylpropanamide
CID 121133010
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide
CID 121133006

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide (CID 121133050) is 2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide is Cc1cc(C(O)CCNC(=O)c2ccccc2Cl)c(C)o1.
What is the InChIKey of 2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide?
The InChIKey is KMZBQMYYRBIWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-10-9-13(11(2)21-10)15(19)7-8-18-16(20)12-5-3-4-6-14(12)17/h3-6,9,15,19H,7-8H2,1-2H3,(H,18,20).
What are the key properties of 2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide?
2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide has a molecular weight of 307.78 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide is sourced from PubChem (CID 121133050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).