N-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide

C17H22ClN3O — CID 9265066

IUPACN-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide
SMILESN#Cc1ccc(NC(=O)CNC2CCCCCCC2)cc1Cl
InChIInChI=1S/C17H22ClN3O/c18-16-10-15(9-8-13(16)11-19)21-17(22)12-20-14-6-4-2-1-3-5-7-14/h8-10,14,20H,1-7,12H2,(H,21,22)
InChIKeyXQRQKHRUUDRAHD-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.85
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide

N-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide (PubChem CID 9265066) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide
PubChem CID9265066
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide
SMILESN#Cc1ccc(NC(=O)CNC2CCCCCCC2)cc1Cl
InChIInChI=1S/C17H22ClN3O/c18-16-10-15(9-8-13(16)11-19)21-17(22)12-20-14-6-4-2-1-3-5-7-14/h8-10,14,20H,1-7,12H2,(H,21,22)
InChIKeyXQRQKHRUUDRAHD-UHFFFAOYSA-N
XLogP3.85
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide
CID 54924873
N-(4-acetamido-3-chlorophenyl)-2-(cyclopentylamino)acetamide
CID 60720174
N-(4-chlorophenyl)-2-(cyclohexylamino)acetamide
CID 788648
2-chloro-5-[[2-(cyclopentylamino)acetyl]amino]benzoic acid
CID 60851750
N-(3-chlorophenyl)-2-(cycloheptylamino)acetamide
CID 43236492
2-(cyclooctylamino)-N-(3,4-difluorophenyl)acetamide
CID 9265327
N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide
CID 54917775
2-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43402252
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-acetamido-2-cyclopentylacetate
CID 55459650
N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 108993617
3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide
CID 54816300
2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide
CID 54918086

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide (CID 9265066) is N-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide is N#Cc1ccc(NC(=O)CNC2CCCCCCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide?
The InChIKey is XQRQKHRUUDRAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c18-16-10-15(9-8-13(16)11-19)21-17(22)12-20-14-6-4-2-1-3-5-7-14/h8-10,14,20H,1-7,12H2,(H,21,22).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide?
N-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide has a molecular weight of 319.84 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide is sourced from PubChem (CID 9265066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).