4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide

C14H21ClN2O — CID 154838385

IUPAC4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide
SMILESCN(C)CCCCN(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-16(2)10-4-5-11-17(3)14(18)12-6-8-13(15)9-7-12/h6-9H,4-5,10-11H2,1-3H3
InChIKeySFJHXFKSRAKNFT-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.75
Rot. Bonds6

About 4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide

4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide (PubChem CID 154838385) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide
PubChem CID154838385
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide
SMILESCN(C)CCCCN(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-16(2)10-4-5-11-17(3)14(18)12-6-8-13(15)9-7-12/h6-9H,4-5,10-11H2,1-3H3
InChIKeySFJHXFKSRAKNFT-UHFFFAOYSA-N
XLogP2.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide
CID 22567507
N-[(3E)-3-amino-3-hydroxyiminopropyl]-4-chloro-N-methylbenzamide
CID 6249988
2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide
CID 55226569
N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide
CID 82880148
N-(4-aminobutyl)-N-methylbenzamide
CID 119088367
4-chloro-N-(2-chloropropyl)-N-methylbenzamide
CID 63393567
5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-carboxamide
CID 63695366
3-chloro-N-[3-(dimethylamino)propyl]-N-methyl-4-nitrobenzamide
CID 82781655
N-(5-bromopentyl)-N,4-dimethylbenzamide
CID 107206029
4-iodo-N-methyl-N-pentylbenzamide
CID 61400602
1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone
CID 82101452
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide?
The IUPAC name of 4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide (CID 154838385) is 4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide is CN(C)CCCCN(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide?
The InChIKey is SFJHXFKSRAKNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-16(2)10-4-5-11-17(3)14(18)12-6-8-13(15)9-7-12/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of 4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide?
4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide has a molecular weight of 268.79 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide is sourced from PubChem (CID 154838385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).