N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide

C16H23ClN2O2 — CID 110609861

IUPACN-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide
SMILESCC(=O)NCCCCNC(=O)CCCc1ccccc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-13(20)18-11-4-5-12-19-16(21)10-6-8-14-7-2-3-9-15(14)17/h2-3,7,9H,4-6,8,10-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyVSKSDWSJFRCWML-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.70
Rot. Bonds9

About N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide

N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide (PubChem CID 110609861) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide.

Molecular Properties

Compound NameN-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide
PubChem CID110609861
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide
SMILESCC(=O)NCCCCNC(=O)CCCc1ccccc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-13(20)18-11-4-5-12-19-16(21)10-6-8-14-7-2-3-9-15(14)17/h2-3,7,9H,4-6,8,10-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyVSKSDWSJFRCWML-UHFFFAOYSA-N
XLogP2.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.70
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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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide?
The IUPAC name of N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide (CID 110609861) is N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide.
What is the SMILES notation for N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide?
The canonical SMILES for N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide is CC(=O)NCCCCNC(=O)CCCc1ccccc1Cl.
What is the InChIKey of N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide?
The InChIKey is VSKSDWSJFRCWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-13(20)18-11-4-5-12-19-16(21)10-6-8-14-7-2-3-9-15(14)17/h2-3,7,9H,4-6,8,10-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide?
N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide has a molecular weight of 310.82 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide is sourced from PubChem (CID 110609861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).