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

C16H24ClNO3 — CID 82960871

IUPAC4-(chloromethyl)-N,N-bis(2-ethoxyethyl)benzamide
SMILESCCOCCN(CCOCC)C(=O)c1ccc(CCl)cc1
InChIInChI=1S/C16H24ClNO3/c1-3-20-11-9-18(10-12-21-4-2)16(19)15-7-5-14(13-17)6-8-15/h5-8H,3-4,9-13H2,1-2H3
InChIKeyKKLIUTFMAKXRHS-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.94
Rot. Bonds10

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

4-(chloromethyl)-N,N-bis(2-ethoxyethyl)benzamide (PubChem CID 82960871) has the molecular formula C16H24ClNO3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 4-(chloromethyl)-N,N-bis(2-ethoxyethyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N,N-bis(2-ethoxyethyl)benzamide
PubChem CID82960871
Molecular FormulaC16H24ClNO3
Molecular Weight313.83 g/mol
Exact Mass313.14
IUPAC Name4-(chloromethyl)-N,N-bis(2-ethoxyethyl)benzamide
SMILESCCOCCN(CCOCC)C(=O)c1ccc(CCl)cc1
InChIInChI=1S/C16H24ClNO3/c1-3-20-11-9-18(10-12-21-4-2)16(19)15-7-5-14(13-17)6-8-15/h5-8H,3-4,9-13H2,1-2H3
InChIKeyKKLIUTFMAKXRHS-UHFFFAOYSA-N
XLogP2.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-N,N-bis(2-ethoxyethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide
CID 43168099
4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 60981287
6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide
CID 82966067
4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60948392
N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63718241
3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide
CID 63692359
5,6-dichloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide
CID 82961174
6-amino-N-(2-ethoxyethyl)-N-ethylpyridine-3-carboxamide
CID 63690796
N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-methylbenzamide
CID 63692679
4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide
CID 43269463
4-(chloromethyl)-N,N-di(propan-2-yl)benzamide
CID 98000579
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N,N-bis(2-ethoxyethyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N,N-bis(2-ethoxyethyl)benzamide (CID 82960871) is 4-(chloromethyl)-N,N-bis(2-ethoxyethyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N,N-bis(2-ethoxyethyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N,N-bis(2-ethoxyethyl)benzamide is CCOCCN(CCOCC)C(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N,N-bis(2-ethoxyethyl)benzamide?
The InChIKey is KKLIUTFMAKXRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/c1-3-20-11-9-18(10-12-21-4-2)16(19)15-7-5-14(13-17)6-8-15/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N,N-bis(2-ethoxyethyl)benzamide?
4-(chloromethyl)-N,N-bis(2-ethoxyethyl)benzamide has a molecular weight of 313.83 g/mol, XLogP of 2.94, 10 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-ethoxyethyl)benzamide is sourced from PubChem (CID 82960871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).