4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide

C15H20ClNO — CID 107397605

IUPAC4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide
SMILESCCN(CC1CCC1)C(=O)c1ccc(CCl)cc1
InChIInChI=1S/C15H20ClNO/c1-2-17(11-13-4-3-5-13)15(18)14-8-6-12(10-16)7-9-14/h6-9,13H,2-5,10-11H2,1H3
InChIKeyYEMQXUCTBDVPIH-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.69
Rot. Bonds5

About 4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide

4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide (PubChem CID 107397605) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide
PubChem CID107397605
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide
SMILESCCN(CC1CCC1)C(=O)c1ccc(CCl)cc1
InChIInChI=1S/C15H20ClNO/c1-2-17(11-13-4-3-5-13)15(18)14-8-6-12(10-16)7-9-14/h6-9,13H,2-5,10-11H2,1H3
InChIKeyYEMQXUCTBDVPIH-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide
CID 107728572
4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63956122
N-(cyclobutylmethyl)-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzamide
CID 107400546
4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropylbenzamide
CID 60949844
4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60948392
2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid
CID 107397528
N-(cyclohexylmethyl)-N-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide
CID 131926420
3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63955717
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
CID 107396959
N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63954344
3-chloro-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide
CID 107400421
N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79721421

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide?
The IUPAC name of 4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide (CID 107397605) is 4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide?
The canonical SMILES for 4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide is CCN(CC1CCC1)C(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide?
The InChIKey is YEMQXUCTBDVPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-2-17(11-13-4-3-5-13)15(18)14-8-6-12(10-16)7-9-14/h6-9,13H,2-5,10-11H2,1H3.
What are the key properties of 4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide?
4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide has a molecular weight of 265.78 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide is sourced from PubChem (CID 107397605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).