5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide

C14H17ClFNO2 — CID 60676397

IUPAC5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
SMILESO=C(NCCCOCC1CC1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H17ClFNO2/c15-11-4-5-13(16)12(8-11)14(18)17-6-1-7-19-9-10-2-3-10/h4-5,8,10H,1-3,6-7,9H2,(H,17,18)
InChIKeyJGCVXKAMYMTILG-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.03
Rot. Bonds7

About 5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide

5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide (PubChem CID 60676397) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
PubChem CID60676397
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
SMILESO=C(NCCCOCC1CC1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H17ClFNO2/c15-11-4-5-13(16)12(8-11)14(18)17-6-1-7-19-9-10-2-3-10/h4-5,8,10H,1-3,6-7,9H2,(H,17,18)
InChIKeyJGCVXKAMYMTILG-UHFFFAOYSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide
CID 103606116
4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 46419484
N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide
CID 63189178
5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 114146514
4-chloro-N-[4-[3-(cyclopropylmethoxy)propylamino]-4-oxobutyl]benzamide
CID 55410421
5-chloro-2-fluoro-N-(3-iodopropyl)benzamide
CID 114504102
2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide
CID 60668843
5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 115297054
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide
CID 114297427
2-chloro-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]benzamide
CID 18168914
N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide
CID 106307478

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide (CID 60676397) is 5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide is O=C(NCCCOCC1CC1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide?
The InChIKey is JGCVXKAMYMTILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-11-4-5-13(16)12(8-11)14(18)17-6-1-7-19-9-10-2-3-10/h4-5,8,10H,1-3,6-7,9H2,(H,17,18).
What are the key properties of 5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide?
5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide has a molecular weight of 285.75 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide is sourced from PubChem (CID 60676397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).