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

C16H23Cl2NO — CID 4058649

IUPACN-[(3,4-dichlorophenyl)methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H23Cl2NO/c1-2-3-4-5-6-7-8-16(20)19-12-13-9-10-14(17)15(18)11-13/h9-11H,2-8,12H2,1H3,(H,19,20)
InChIKeyDNSFCHVYPNTCOO-UHFFFAOYSA-N
MW316.27 g/mol
LogP5.36
Rot. Bonds9

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

N-[(3,4-dichlorophenyl)methyl]nonanamide (PubChem CID 4058649) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]nonanamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]nonanamide
PubChem CID4058649
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC NameN-[(3,4-dichlorophenyl)methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H23Cl2NO/c1-2-3-4-5-6-7-8-16(20)19-12-13-9-10-14(17)15(18)11-13/h9-11H,2-8,12H2,1H3,(H,19,20)
InChIKeyDNSFCHVYPNTCOO-UHFFFAOYSA-N
XLogP5.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.27
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]pentanamide
CID 3343442
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
N-[[4-(chloromethyl)phenyl]methyl]heptanamide
CID 107233492
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N-[[3-(chloromethyl)phenyl]methyl]octanamide
CID 114302418
N-[[4-(aminomethyl)phenyl]methyl]heptanamide
CID 114751908
N-[(4-bromophenyl)methyl]octanamide
CID 60582799
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
N-[(3,4-dichlorophenyl)methyl]-2-ethylnonanamide
CID 150273254
N-benzylundecanamide
CID 5078198

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]nonanamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]nonanamide (CID 4058649) is N-[(3,4-dichlorophenyl)methyl]nonanamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]nonanamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]nonanamide is CCCCCCCCC(=O)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]nonanamide?
The InChIKey is DNSFCHVYPNTCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-2-3-4-5-6-7-8-16(20)19-12-13-9-10-14(17)15(18)11-13/h9-11H,2-8,12H2,1H3,(H,19,20).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]nonanamide?
N-[(3,4-dichlorophenyl)methyl]nonanamide has a molecular weight of 316.27 g/mol, XLogP of 5.36, 9 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]nonanamide is sourced from PubChem (CID 4058649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).