N-(2-acetamido-5-chlorophenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide

C23H27ClN2O4 — CID 60605434

IUPACN-(2-acetamido-5-chlorophenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide
SMILESCCCCCOc1ccc(C(=O)CCC(=O)Nc2cc(Cl)ccc2NC(C)=O)cc1
InChIInChI=1S/C23H27ClN2O4/c1-3-4-5-14-30-19-9-6-17(7-10-19)22(28)12-13-23(29)26-21-15-18(24)8-11-20(21)25-16(2)27/h6-11,15H,3-5,12-14H2,1-2H3,(H,25,27)(H,26,29)
InChIKeyUISCIAKNOSNNTA-UHFFFAOYSA-N
MW430.93 g/mol
LogP5.47
Rot. Bonds11

About N-(2-acetamido-5-chlorophenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide

N-(2-acetamido-5-chlorophenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide (PubChem CID 60605434) has the molecular formula C23H27ClN2O4 and a molecular weight of 430.93 g/mol. Its IUPAC name is N-(2-acetamido-5-chlorophenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(2-acetamido-5-chlorophenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide
PubChem CID60605434
Molecular FormulaC23H27ClN2O4
Molecular Weight430.93 g/mol
Exact Mass430.17
IUPAC NameN-(2-acetamido-5-chlorophenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide
SMILESCCCCCOc1ccc(C(=O)CCC(=O)Nc2cc(Cl)ccc2NC(C)=O)cc1
InChIInChI=1S/C23H27ClN2O4/c1-3-4-5-14-30-19-9-6-17(7-10-19)22(28)12-13-23(29)26-21-15-18(24)8-11-20(21)25-16(2)27/h6-11,15H,3-5,12-14H2,1-2H3,(H,25,27)(H,26,29)
InChIKeyUISCIAKNOSNNTA-UHFFFAOYSA-N
XLogP5.47
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.93
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 18269206
N-(5-acetamido-2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55551846
4-methyl-3-[[4-oxo-4-(4-pentoxyphenyl)butanoyl]amino]benzamide
CID 60602890
N-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide
CID 4733017
N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 36522730
N-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide
CID 4938660
N-(2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9413945
4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide
CID 9440425
N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide
CID 4733029
N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119308230
N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26664486
N-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 86860404

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-chlorophenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide?
The IUPAC name of N-(2-acetamido-5-chlorophenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide (CID 60605434) is N-(2-acetamido-5-chlorophenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide.
What is the SMILES notation for N-(2-acetamido-5-chlorophenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide?
The canonical SMILES for N-(2-acetamido-5-chlorophenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide is CCCCCOc1ccc(C(=O)CCC(=O)Nc2cc(Cl)ccc2NC(C)=O)cc1.
What is the InChIKey of N-(2-acetamido-5-chlorophenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide?
The InChIKey is UISCIAKNOSNNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O4/c1-3-4-5-14-30-19-9-6-17(7-10-19)22(28)12-13-23(29)26-21-15-18(24)8-11-20(21)25-16(2)27/h6-11,15H,3-5,12-14H2,1-2H3,(H,25,27)(H,26,29).
What are the key properties of N-(2-acetamido-5-chlorophenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide?
N-(2-acetamido-5-chlorophenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide has a molecular weight of 430.93 g/mol, XLogP of 5.47, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-chlorophenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide is sourced from PubChem (CID 60605434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).