3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide

C11H13ClFNO2 — CID 110764723

IUPAC3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13ClFNO2/c1-16-6-2-5-14-11(15)8-3-4-10(13)9(12)7-8/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyPSCCUNSTYGAYPC-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.25
Rot. Bonds5

About 3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide

3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide (PubChem CID 110764723) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide
PubChem CID110764723
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13ClFNO2/c1-16-6-2-5-14-11(15)8-3-4-10(13)9(12)7-8/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyPSCCUNSTYGAYPC-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.25
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

N-[3-(2-bromoethoxy)propyl]-3-chloro-4-fluorobenzamide
CID 114171496
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593242
4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(3-methoxypropyl)benzamide
CID 17480377
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
3-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 110610259
methyl 2-chloro-3-[(3-chloro-4-fluorobenzoyl)amino]propanoate
CID 103492768
4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide
CID 113228456
4-chloro-3-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 107990784
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide
CID 63187415
N-[2-(3-aminophenoxy)ethyl]-3-chloro-4-fluorobenzamide
CID 82874414
2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid
CID 80502677

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide (CID 110764723) is 3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide?
The InChIKey is PSCCUNSTYGAYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-16-6-2-5-14-11(15)8-3-4-10(13)9(12)7-8/h3-4,7H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide?
3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide has a molecular weight of 245.68 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 110764723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).