N-[(3,4-dichlorophenyl)methyl]pentanamide

C12H15Cl2NO — CID 3343442

IUPACN-[(3,4-dichlorophenyl)methyl]pentanamide
SMILESCCCCC(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-2-3-4-12(16)15-8-9-5-6-10(13)11(14)7-9/h5-7H,2-4,8H2,1H3,(H,15,16)
InChIKeyZDFBEYWQMUIHPK-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.80
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]pentanamide

N-[(3,4-dichlorophenyl)methyl]pentanamide (PubChem CID 3343442) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]pentanamide
PubChem CID3343442
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC NameN-[(3,4-dichlorophenyl)methyl]pentanamide
SMILESCCCCC(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-2-3-4-12(16)15-8-9-5-6-10(13)11(14)7-9/h5-7H,2-4,8H2,1H3,(H,15,16)
InChIKeyZDFBEYWQMUIHPK-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]nonanamide
CID 4058649
2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 3460813
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[(4-chloro-3-cyanophenyl)methyl]butanamide
CID 129091681
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
N-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide
CID 68937415
N-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dichlorophenyl)butanamide
CID 55833674
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pentanamide
CID 110787032
N-[(3,4-dichlorophenyl)methyl]-2-ethylnonanamide
CID 150273254
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
N-[[4-[(dimethylamino)methyl]phenyl]methyl]pentanamide
CID 78810655
N-[[4-(chloromethyl)phenyl]methyl]heptanamide
CID 107233492

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]pentanamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]pentanamide (CID 3343442) is N-[(3,4-dichlorophenyl)methyl]pentanamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]pentanamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]pentanamide is CCCCC(=O)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]pentanamide?
The InChIKey is ZDFBEYWQMUIHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-2-3-4-12(16)15-8-9-5-6-10(13)11(14)7-9/h5-7H,2-4,8H2,1H3,(H,15,16).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]pentanamide?
N-[(3,4-dichlorophenyl)methyl]pentanamide has a molecular weight of 260.16 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]pentanamide is sourced from PubChem (CID 3343442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).