2-chloro-6-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide

C14H18ClFN2O3 — CID 51307804

IUPAC2-chloro-6-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H18ClFN2O3/c1-18(9-12(19)17-7-4-8-21-2)14(20)13-10(15)5-3-6-11(13)16/h3,5-6H,4,7-9H2,1-2H3,(H,17,19)
InChIKeyJSUYPRVKEKFVRW-UHFFFAOYSA-N
MW316.76 g/mol
LogP1.70
Rot. Bonds7

About 2-chloro-6-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide

2-chloro-6-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 51307804) has the molecular formula C14H18ClFN2O3 and a molecular weight of 316.76 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID51307804
Molecular FormulaC14H18ClFN2O3
Molecular Weight316.76 g/mol
Exact Mass316.10
IUPAC Name2-chloro-6-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H18ClFN2O3/c1-18(9-12(19)17-7-4-8-21-2)14(20)13-10(15)5-3-6-11(13)16/h3,5-6H,4,7-9H2,1-2H3,(H,17,19)
InChIKeyJSUYPRVKEKFVRW-UHFFFAOYSA-N
XLogP1.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307796
4-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 51095013
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
3-bromo-2-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 106547925
2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide
CID 51074979
3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 51307897
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 103841802
1-(2-chloro-6-fluorophenyl)-4-methoxybutan-1-one
CID 115815531
methyl 2-[(2,6-dichlorobenzoyl)-methylamino]acetate
CID 43422763
4-(aminomethyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 60953453
2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 105380806

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide (CID 51307804) is 2-chloro-6-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide is COCCCNC(=O)CN(C)C(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is JSUYPRVKEKFVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O3/c1-18(9-12(19)17-7-4-8-21-2)14(20)13-10(15)5-3-6-11(13)16/h3,5-6H,4,7-9H2,1-2H3,(H,17,19).
What are the key properties of 2-chloro-6-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide?
2-chloro-6-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 316.76 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 51307804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).