4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide

C14H20ClNO3 — CID 43168099

IUPAC4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1ccc(CCl)cc1
InChIInChI=1S/C14H20ClNO3/c1-18-9-7-16(8-10-19-2)14(17)13-5-3-12(11-15)4-6-13/h3-6H,7-11H2,1-2H3
InChIKeyOIFYNHNDOQAUOZ-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.16
Rot. Bonds8

About 4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide

4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide (PubChem CID 43168099) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide
PubChem CID43168099
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1ccc(CCl)cc1
InChIInChI=1S/C14H20ClNO3/c1-18-9-7-16(8-10-19-2)14(17)13-5-3-12(11-15)4-6-13/h3-6H,7-11H2,1-2H3
InChIKeyOIFYNHNDOQAUOZ-UHFFFAOYSA-N
XLogP2.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 60981287
4-(chloromethyl)-N,N-bis(2-ethoxyethyl)benzamide
CID 82960871
3-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 60981417
4-isocyano-N,N-bis(2-methoxyethyl)benzamide
CID 140732662
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 70804384
4-hydroxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902414
N-(2-hydroxyethyl)-4-methoxy-N-(2-methoxyethyl)benzamide
CID 113339829
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide
CID 107026123
N-(2-chloroethyl)-3,4-dihydroxy-N-(2-methoxyethyl)benzamide
CID 107729074
4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60948392
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide
CID 103841549

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide (CID 43168099) is 4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide is COCCN(CCOC)C(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide?
The InChIKey is OIFYNHNDOQAUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-18-9-7-16(8-10-19-2)14(17)13-5-3-12(11-15)4-6-13/h3-6H,7-11H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide?
4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide has a molecular weight of 285.77 g/mol, XLogP of 2.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide is sourced from PubChem (CID 43168099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).