N-(2-chlorophenyl)-4-(octanoylamino)benzamide

C21H25ClN2O2 — CID 171980600

IUPACN-(2-chlorophenyl)-4-(octanoylamino)benzamide
SMILESCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C21H25ClN2O2/c1-2-3-4-5-6-11-20(25)23-17-14-12-16(13-15-17)21(26)24-19-10-8-7-9-18(19)22/h7-10,12-15H,2-6,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyWSSALSWAGHWBON-UHFFFAOYSA-N
MW372.90 g/mol
LogP5.89
Rot. Bonds9

About N-(2-chlorophenyl)-4-(octanoylamino)benzamide

N-(2-chlorophenyl)-4-(octanoylamino)benzamide (PubChem CID 171980600) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(octanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(octanoylamino)benzamide
PubChem CID171980600
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-(2-chlorophenyl)-4-(octanoylamino)benzamide
SMILESCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C21H25ClN2O2/c1-2-3-4-5-6-11-20(25)23-17-14-12-16(13-15-17)21(26)24-19-10-8-7-9-18(19)22/h7-10,12-15H,2-6,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyWSSALSWAGHWBON-UHFFFAOYSA-N
XLogP5.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.90
LogP ≤ 55.89
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-(decanoylamino)-N-(2,6-dichlorophenyl)benzamide
CID 46501979
N-(2-chlorophenyl)octanamide
CID 2292983
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
N-(2-chlorophenyl)hexanamide
CID 4644560
N-[4-(heptanoylamino)phenyl]benzamide
CID 54789055
2-[[4-(hexanoylamino)benzoyl]amino]benzoic acid
CID 3756720
N-(2-chlorophenyl)-4-[(2-methoxyacetyl)amino]benzamide
CID 1228428
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(2-chlorophenyl)-4-(ethylamino)benzamide
CID 62167613
4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide
CID 3669912
N-(3,5-dichlorophenyl)-4-(pentanoylamino)benzamide
CID 4630686
N-(4-chlorophenyl)tridecanamide
CID 4195215

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(octanoylamino)benzamide?
The IUPAC name of N-(2-chlorophenyl)-4-(octanoylamino)benzamide (CID 171980600) is N-(2-chlorophenyl)-4-(octanoylamino)benzamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(octanoylamino)benzamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(octanoylamino)benzamide is CCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-(octanoylamino)benzamide?
The InChIKey is WSSALSWAGHWBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-2-3-4-5-6-11-20(25)23-17-14-12-16(13-15-17)21(26)24-19-10-8-7-9-18(19)22/h7-10,12-15H,2-6,11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(2-chlorophenyl)-4-(octanoylamino)benzamide?
N-(2-chlorophenyl)-4-(octanoylamino)benzamide has a molecular weight of 372.90 g/mol, XLogP of 5.89, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(octanoylamino)benzamide is sourced from PubChem (CID 171980600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).