N-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide

C21H25ClN2O3 — CID 55799104

IUPACN-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2cc(NC(=O)CC)ccc2Cl)cc1
InChIInChI=1S/C21H25ClN2O3/c1-3-5-6-13-27-17-10-7-15(8-11-17)21(26)24-19-14-16(9-12-18(19)22)23-20(25)4-2/h7-12,14H,3-6,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCDCDDUICJJEGKQ-UHFFFAOYSA-N
MW388.90 g/mol
LogP5.51
Rot. Bonds9

About N-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide

N-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide (PubChem CID 55799104) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide
PubChem CID55799104
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC NameN-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2cc(NC(=O)CC)ccc2Cl)cc1
InChIInChI=1S/C21H25ClN2O3/c1-3-5-6-13-27-17-10-7-15(8-11-17)21(26)24-19-14-16(9-12-18(19)22)23-20(25)4-2/h7-12,14H,3-6,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCDCDDUICJJEGKQ-UHFFFAOYSA-N
XLogP5.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-4-hexoxybenzamide
CID 17174639
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide
CID 2995153
4-butoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 4936163
N-(3,5-dichlorophenyl)-4-heptoxybenzamide
CID 4950610
N-(3,5-dichlorophenyl)-4-hexoxybenzamide
CID 4933557
N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide
CID 4950672
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethoxy-3-methoxybenzamide
CID 55799038
N-(3-chlorophenyl)-4-pentoxybenzamide
CID 4934948
N-(4-iodophenyl)-4-pentoxybenzamide
CID 4935000
N-[4-chloro-3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 2995282

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide?
The IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide (CID 55799104) is N-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide.
What is the SMILES notation for N-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide?
The canonical SMILES for N-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)Nc2cc(NC(=O)CC)ccc2Cl)cc1.
What is the InChIKey of N-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide?
The InChIKey is CDCDDUICJJEGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-3-5-6-13-27-17-10-7-15(8-11-17)21(26)24-19-14-16(9-12-18(19)22)23-20(25)4-2/h7-12,14H,3-6,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide?
N-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide has a molecular weight of 388.90 g/mol, XLogP of 5.51, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide is sourced from PubChem (CID 55799104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).