N-(4-acetamido-3-methylphenyl)-5-chloropentanamide

C14H19ClN2O2 — CID 43696544

IUPACN-(4-acetamido-3-methylphenyl)-5-chloropentanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCCCCl)cc1C
InChIInChI=1S/C14H19ClN2O2/c1-10-9-12(6-7-13(10)16-11(2)18)17-14(19)5-3-4-8-15/h6-7,9H,3-5,8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyVDSFXDXAJJIPMQ-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.30
Rot. Bonds6

About N-(4-acetamido-3-methylphenyl)-5-chloropentanamide

N-(4-acetamido-3-methylphenyl)-5-chloropentanamide (PubChem CID 43696544) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-5-chloropentanamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-5-chloropentanamide
PubChem CID43696544
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(4-acetamido-3-methylphenyl)-5-chloropentanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCCCCl)cc1C
InChIInChI=1S/C14H19ClN2O2/c1-10-9-12(6-7-13(10)16-11(2)18)17-14(19)5-3-4-8-15/h6-7,9H,3-5,8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyVDSFXDXAJJIPMQ-UHFFFAOYSA-N
XLogP3.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamido-3-methylphenyl)-3-aminopropanamide
CID 43698824
N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide
CID 63309475
N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide
CID 43167983
4-chloro-N-(4-methoxy-3-methylphenyl)butanamide
CID 63308381
N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79285856
N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide
CID 39193527
5-chloro-N-(3,4-difluorophenyl)pentanamide
CID 28971468
4-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]butanamide
CID 63308876
N-(4-acetamido-3-methylphenyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
CID 43052309
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 43347098
4-chloro-N-(4-cyano-2-methylphenyl)butanamide
CID 25155549

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-5-chloropentanamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-5-chloropentanamide (CID 43696544) is N-(4-acetamido-3-methylphenyl)-5-chloropentanamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-5-chloropentanamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-5-chloropentanamide is CC(=O)Nc1ccc(NC(=O)CCCCCl)cc1C.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-5-chloropentanamide?
The InChIKey is VDSFXDXAJJIPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10-9-12(6-7-13(10)16-11(2)18)17-14(19)5-3-4-8-15/h6-7,9H,3-5,8H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(4-acetamido-3-methylphenyl)-5-chloropentanamide?
N-(4-acetamido-3-methylphenyl)-5-chloropentanamide has a molecular weight of 282.77 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-5-chloropentanamide is sourced from PubChem (CID 43696544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).