N-(2-chloro-3-methoxypropyl)-2-fluorobenzamide

C11H13ClFNO2 — CID 114298974

IUPACN-(2-chloro-3-methoxypropyl)-2-fluorobenzamide
SMILESCOCC(Cl)CNC(=O)c1ccccc1F
InChIInChI=1S/C11H13ClFNO2/c1-16-7-8(12)6-14-11(15)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyCHFCMCPFFQINSP-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.81
Rot. Bonds5

About N-(2-chloro-3-methoxypropyl)-2-fluorobenzamide

N-(2-chloro-3-methoxypropyl)-2-fluorobenzamide (PubChem CID 114298974) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-2-fluorobenzamide
PubChem CID114298974
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC NameN-(2-chloro-3-methoxypropyl)-2-fluorobenzamide
SMILESCOCC(Cl)CNC(=O)c1ccccc1F
InChIInChI=1S/C11H13ClFNO2/c1-16-7-8(12)6-14-11(15)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyCHFCMCPFFQINSP-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
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

2-bromo-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298631
methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate
CID 103493166
3-bromo-N-(2-chloro-3-methoxypropyl)-2-methylbenzamide
CID 114298695
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
4-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298950
2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-methoxypropanoic acid
CID 81085011
N-(2-chloro-3-methoxypropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 114298845
N-(3-chloro-4-methoxybutyl)-2-iodobenzamide
CID 106243499
2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60717185
N-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide
CID 114298783
N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide
CID 114298870
N-(2-amino-4-methylpentyl)-2-fluorobenzamide
CID 107158830

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-2-fluorobenzamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-2-fluorobenzamide (CID 114298974) is N-(2-chloro-3-methoxypropyl)-2-fluorobenzamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-2-fluorobenzamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-2-fluorobenzamide is COCC(Cl)CNC(=O)c1ccccc1F.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-2-fluorobenzamide?
The InChIKey is CHFCMCPFFQINSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-16-7-8(12)6-14-11(15)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15).
What are the key properties of N-(2-chloro-3-methoxypropyl)-2-fluorobenzamide?
N-(2-chloro-3-methoxypropyl)-2-fluorobenzamide has a molecular weight of 245.68 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-2-fluorobenzamide is sourced from PubChem (CID 114298974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).