N-(3-chlorophenyl)-2-(octylamino)acetamide

C16H25ClN2O — CID 78914396

IUPACN-(3-chlorophenyl)-2-(octylamino)acetamide
SMILESCCCCCCCCNCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2O/c1-2-3-4-5-6-7-11-18-13-16(20)19-15-10-8-9-14(17)12-15/h8-10,12,18H,2-7,11,13H2,1H3,(H,19,20)
InChIKeyNIKOROPTNUWUSD-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.23
Rot. Bonds10

About N-(3-chlorophenyl)-2-(octylamino)acetamide

N-(3-chlorophenyl)-2-(octylamino)acetamide (PubChem CID 78914396) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(octylamino)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(octylamino)acetamide
PubChem CID78914396
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-(3-chlorophenyl)-2-(octylamino)acetamide
SMILESCCCCCCCCNCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2O/c1-2-3-4-5-6-7-11-18-13-16(20)19-15-10-8-9-14(17)12-15/h8-10,12,18H,2-7,11,13H2,1H3,(H,19,20)
InChIKeyNIKOROPTNUWUSD-UHFFFAOYSA-N
XLogP4.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.23
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

N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-(3-chlorophenyl)-2-(5-hydroxypentylamino)acetamide
CID 103820250
N-(3-fluorophenyl)-2-(octylamino)acetamide
CID 78914397
N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 28583672
2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54814618
N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide
CID 103820258
3-[[2-(hexadecylamino)acetyl]amino]-N-propylbenzamide
CID 54808714
N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide
CID 54814616
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide
CID 109005960
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
2-(hexadecylamino)-N-naphthalen-2-ylacetamide
CID 54808912

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(octylamino)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(octylamino)acetamide (CID 78914396) is N-(3-chlorophenyl)-2-(octylamino)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(octylamino)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(octylamino)acetamide is CCCCCCCCNCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(octylamino)acetamide?
The InChIKey is NIKOROPTNUWUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-2-3-4-5-6-7-11-18-13-16(20)19-15-10-8-9-14(17)12-15/h8-10,12,18H,2-7,11,13H2,1H3,(H,19,20).
What are the key properties of N-(3-chlorophenyl)-2-(octylamino)acetamide?
N-(3-chlorophenyl)-2-(octylamino)acetamide has a molecular weight of 296.84 g/mol, XLogP of 4.23, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(octylamino)acetamide is sourced from PubChem (CID 78914396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).