4-chloro-N-(2-chloro-3-methoxypropyl)benzamide

C11H13Cl2NO2 — CID 114298950

IUPAC4-chloro-N-(2-chloro-3-methoxypropyl)benzamide
SMILESCOCC(Cl)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13Cl2NO2/c1-16-7-10(13)6-14-11(15)8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3,(H,14,15)
InChIKeyRZKBKLRVNCSZEJ-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.32
Rot. Bonds5

About 4-chloro-N-(2-chloro-3-methoxypropyl)benzamide

4-chloro-N-(2-chloro-3-methoxypropyl)benzamide (PubChem CID 114298950) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 4-chloro-N-(2-chloro-3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-chloro-3-methoxypropyl)benzamide
PubChem CID114298950
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name4-chloro-N-(2-chloro-3-methoxypropyl)benzamide
SMILESCOCC(Cl)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13Cl2NO2/c1-16-7-10(13)6-14-11(15)8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3,(H,14,15)
InChIKeyRZKBKLRVNCSZEJ-UHFFFAOYSA-N
XLogP2.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.32
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

N-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide
CID 114298911
3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 107941141
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
N-(2-chloro-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide
CID 113272098
5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
CID 106689982
N-(2-chloro-3-methoxypropyl)-2-fluorobenzamide
CID 114298974
4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide
CID 40897930
N-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide
CID 106244057
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide
CID 166959386
2-bromo-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298631
4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701327

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloro-3-methoxypropyl)benzamide?
The IUPAC name of 4-chloro-N-(2-chloro-3-methoxypropyl)benzamide (CID 114298950) is 4-chloro-N-(2-chloro-3-methoxypropyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-chloro-3-methoxypropyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-chloro-3-methoxypropyl)benzamide is COCC(Cl)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-chloro-3-methoxypropyl)benzamide?
The InChIKey is RZKBKLRVNCSZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-16-7-10(13)6-14-11(15)8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3,(H,14,15).
What are the key properties of 4-chloro-N-(2-chloro-3-methoxypropyl)benzamide?
4-chloro-N-(2-chloro-3-methoxypropyl)benzamide has a molecular weight of 262.14 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloro-3-methoxypropyl)benzamide is sourced from PubChem (CID 114298950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).