N-[4-acetamido-3-(3-chloropropyl)phenyl]acetamide

C13H17ClN2O2 — CID 138505346

IUPACN-[4-acetamido-3-(3-chloropropyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(C)=O)c(CCCCl)c1
InChIInChI=1S/C13H17ClN2O2/c1-9(17)15-12-5-6-13(16-10(2)18)11(8-12)4-3-7-14/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyRNMASJROFGHZFK-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.77
Rot. Bonds5

About N-[4-acetamido-3-(3-chloropropyl)phenyl]acetamide

N-[4-acetamido-3-(3-chloropropyl)phenyl]acetamide (PubChem CID 138505346) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[4-acetamido-3-(3-chloropropyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-acetamido-3-(3-chloropropyl)phenyl]acetamide
PubChem CID138505346
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[4-acetamido-3-(3-chloropropyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(C)=O)c(CCCCl)c1
InChIInChI=1S/C13H17ClN2O2/c1-9(17)15-12-5-6-13(16-10(2)18)11(8-12)4-3-7-14/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyRNMASJROFGHZFK-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-acetamido-3-[3-(3-methylimidazol-3-ium-1-yl)propyl]phenyl]acetamide
CID 138505465
N-(4-acetamido-3-methylphenyl)-5-chloropentanamide
CID 43696544
N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide
CID 63309475
N-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide
CID 105482989
N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide
CID 43167983
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668
N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride
CID 17385562
N-(2-ethyl-4-methylphenyl)acetamide
CID 89198969
N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide
CID 96659275
N-(4-butyl-3-nitrophenyl)acetamide
CID 71393805
2-[5-acetamido-2-(carboxymethoxy)phenyl]acetic acid
CID 142628351
N-[3-(aminomethyl)-4-fluorophenyl]acetamide
CID 62317128

Frequently Asked Questions

What is the IUPAC name of N-[4-acetamido-3-(3-chloropropyl)phenyl]acetamide?
The IUPAC name of N-[4-acetamido-3-(3-chloropropyl)phenyl]acetamide (CID 138505346) is N-[4-acetamido-3-(3-chloropropyl)phenyl]acetamide.
What is the SMILES notation for N-[4-acetamido-3-(3-chloropropyl)phenyl]acetamide?
The canonical SMILES for N-[4-acetamido-3-(3-chloropropyl)phenyl]acetamide is CC(=O)Nc1ccc(NC(C)=O)c(CCCCl)c1.
What is the InChIKey of N-[4-acetamido-3-(3-chloropropyl)phenyl]acetamide?
The InChIKey is RNMASJROFGHZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9(17)15-12-5-6-13(16-10(2)18)11(8-12)4-3-7-14/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[4-acetamido-3-(3-chloropropyl)phenyl]acetamide?
N-[4-acetamido-3-(3-chloropropyl)phenyl]acetamide has a molecular weight of 268.74 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetamido-3-(3-chloropropyl)phenyl]acetamide is sourced from PubChem (CID 138505346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).