4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide

C12H14Cl2FNO2 — CID 107994173

IUPAC4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCCl)C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H14Cl2FNO2/c1-18-7-6-16(5-4-13)12(17)9-2-3-10(14)11(15)8-9/h2-3,8H,4-7H2,1H3
InChIKeyDQJWUUHOWFAANR-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.81
Rot. Bonds6

About 4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide

4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide (PubChem CID 107994173) has the molecular formula C12H14Cl2FNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide
PubChem CID107994173
Molecular FormulaC12H14Cl2FNO2
Molecular Weight294.15 g/mol
Exact Mass293.04
IUPAC Name4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCCl)C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H14Cl2FNO2/c1-18-7-6-16(5-4-13)12(17)9-2-3-10(14)11(15)8-9/h2-3,8H,4-7H2,1H3
InChIKeyDQJWUUHOWFAANR-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-3,4-dihydroxy-N-(2-methoxyethyl)benzamide
CID 107729074
3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide
CID 103841549
3,4-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772784
N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide
CID 106754271
3-bromo-N-(2-chloroethyl)-5-fluoro-N-(2-methoxyethyl)benzamide
CID 113468238
4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide
CID 43168099
5-chloro-N-(2-chloroethyl)-2-iodo-N-(2-methoxyethyl)benzamide
CID 114029716
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902316
N-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide
CID 113468216
1-(4-chloro-3-fluorophenyl)-4-methoxybutan-1-one
CID 107996822
3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 63188742
2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide
CID 51074979

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide (CID 107994173) is 4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide is COCCN(CCCl)C(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide?
The InChIKey is DQJWUUHOWFAANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FNO2/c1-18-7-6-16(5-4-13)12(17)9-2-3-10(14)11(15)8-9/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide?
4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide has a molecular weight of 294.15 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 107994173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).