N-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide

C24H40Cl2N2O — CID 54808960

IUPACN-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide
SMILESCCCCCCCCCCCCCCCCNCC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C24H40Cl2N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-27-20-23(29)28-22-18-16-17-21(25)24(22)26/h16-18,27H,2-15,19-20H2,1H3,(H,28,29)
InChIKeyPYUQJNGBGCOPIL-UHFFFAOYSA-N
MW443.50 g/mol
LogP8.00
Rot. Bonds18

About N-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide

N-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide (PubChem CID 54808960) has the molecular formula C24H40Cl2N2O and a molecular weight of 443.50 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide
PubChem CID54808960
Molecular FormulaC24H40Cl2N2O
Molecular Weight443.50 g/mol
Exact Mass442.25
IUPAC NameN-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide
SMILESCCCCCCCCCCCCCCCCNCC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C24H40Cl2N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-27-20-23(29)28-22-18-16-17-21(25)24(22)26/h16-18,27H,2-15,19-20H2,1H3,(H,28,29)
InChIKeyPYUQJNGBGCOPIL-UHFFFAOYSA-N
XLogP8.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 58.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]butanoic acid
CID 43473554
N-(2,3-dimethylphenyl)-2-(hexadecylamino)acetamide
CID 54808961
2-(2,3-dichloroanilino)-N-heptylacetamide
CID 54816059
N-(2-fluorophenyl)-2-(octylamino)acetamide
CID 78914339
N-(2-bromophenyl)-2-(hexylamino)acetamide
CID 60648819
N-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide
CID 109032256
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide
CID 109005960
N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 108997146
N-[4-chloro-3-[[2-(hexadecylamino)acetyl]amino]phenyl]butanamide
CID 54808683

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide (CID 54808960) is N-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide is CCCCCCCCCCCCCCCCNCC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide?
The InChIKey is PYUQJNGBGCOPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40Cl2N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-27-20-23(29)28-22-18-16-17-21(25)24(22)26/h16-18,27H,2-15,19-20H2,1H3,(H,28,29).
What are the key properties of N-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide?
N-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide has a molecular weight of 443.50 g/mol, XLogP of 8.00, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide is sourced from PubChem (CID 54808960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).