N-[(5-butyl-2-chlorophenyl)methyl]-N-methylpropanamide

C15H22ClNO — CID 171836451

IUPACN-[(5-butyl-2-chlorophenyl)methyl]-N-methylpropanamide
SMILESCCCCc1ccc(Cl)c(CN(C)C(=O)CC)c1
InChIInChI=1S/C15H22ClNO/c1-4-6-7-12-8-9-14(16)13(10-12)11-17(3)15(18)5-2/h8-10H,4-7,11H2,1-3H3
InChIKeyFDHAFACFNWGUMK-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.05
Rot. Bonds6

About N-[(5-butyl-2-chlorophenyl)methyl]-N-methylpropanamide

N-[(5-butyl-2-chlorophenyl)methyl]-N-methylpropanamide (PubChem CID 171836451) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[(5-butyl-2-chlorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(5-butyl-2-chlorophenyl)methyl]-N-methylpropanamide
PubChem CID171836451
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[(5-butyl-2-chlorophenyl)methyl]-N-methylpropanamide
SMILESCCCCc1ccc(Cl)c(CN(C)C(=O)CC)c1
InChIInChI=1S/C15H22ClNO/c1-4-6-7-12-8-9-14(16)13(10-12)11-17(3)15(18)5-2/h8-10H,4-7,11H2,1-3H3
InChIKeyFDHAFACFNWGUMK-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibutyl-1-chlorobenzene
CID 18417644
2-[(5-butyl-2-hydroxyphenyl)methyl-methylamino]acetic acid
CID 19814547
1-chloro-4-(3-chloropropyl)-2-ethylbenzene
CID 170836970
1-(4-butyl-2-chlorophenyl)ethanone
CID 106659109
N-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide
CID 142120101
N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 60630863
(4-butyl-2-chlorophenyl)methanol
CID 22508825
2-[4-chloro-3-(hydroxymethyl)phenyl]ethyl-methylcarbamic acid
CID 140558957
2-bromo-4-butyl-1-chlorobenzene
CID 50997862
4-butyl-1-chloro-2-fluorobenzene
CID 20755408
N-[(5-acetyl-2-chlorophenyl)methyl]-N-methylacetamide
CID 66789788
N-(2-amino-2-oxoethyl)-2-(4-butylphenyl)-N-methylacetamide
CID 56813078

Frequently Asked Questions

What is the IUPAC name of N-[(5-butyl-2-chlorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of N-[(5-butyl-2-chlorophenyl)methyl]-N-methylpropanamide (CID 171836451) is N-[(5-butyl-2-chlorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for N-[(5-butyl-2-chlorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for N-[(5-butyl-2-chlorophenyl)methyl]-N-methylpropanamide is CCCCc1ccc(Cl)c(CN(C)C(=O)CC)c1.
What is the InChIKey of N-[(5-butyl-2-chlorophenyl)methyl]-N-methylpropanamide?
The InChIKey is FDHAFACFNWGUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-4-6-7-12-8-9-14(16)13(10-12)11-17(3)15(18)5-2/h8-10H,4-7,11H2,1-3H3.
What are the key properties of N-[(5-butyl-2-chlorophenyl)methyl]-N-methylpropanamide?
N-[(5-butyl-2-chlorophenyl)methyl]-N-methylpropanamide has a molecular weight of 267.80 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-butyl-2-chlorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 171836451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).