N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide

C15H21ClN2O2 — CID 43699890

IUPACN-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)CCCCCl)c1
InChIInChI=1S/C15H21ClN2O2/c1-12(19)18(2)11-13-6-5-7-14(10-13)17-15(20)8-3-4-9-16/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,17,20)
InChIKeyDYNBDCPDFRINMN-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.01
Rot. Bonds7

About N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide

N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide (PubChem CID 43699890) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide.

Molecular Properties

Compound NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide
PubChem CID43699890
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)CCCCCl)c1
InChIInChI=1S/C15H21ClN2O2/c1-12(19)18(2)11-13-6-5-7-14(10-13)17-15(20)8-3-4-9-16/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,17,20)
InChIKeyDYNBDCPDFRINMN-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.01
H-Bond Donors ≤ 51
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

5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide
CID 43697963
5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid
CID 60941960
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-bromopropanamide
CID 113385188
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide
CID 51089316
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide
CID 54924609
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-cyanophenyl)propanamide
CID 33228520
(2S)-2-amino-3-[3-(6-chlorohexanoylamino)phenyl]propanoic acid
CID 155319755
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-(5-bromo-1,3-dioxoisoindol-2-yl)butanamide
CID 33229147
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide
CID 43346819
N-[3-(chloromethyl)phenyl]hexanamide
CID 114293212
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 38585805
N-[3-(butanoylamino)phenyl]-4-chlorobutanamide
CID 17187674

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide?
The IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide (CID 43699890) is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide.
What is the SMILES notation for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide?
The canonical SMILES for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide is CC(=O)N(C)Cc1cccc(NC(=O)CCCCCl)c1.
What is the InChIKey of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide?
The InChIKey is DYNBDCPDFRINMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-12(19)18(2)11-13-6-5-7-14(10-13)17-15(20)8-3-4-9-16/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,17,20).
What are the key properties of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide?
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide has a molecular weight of 296.80 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide is sourced from PubChem (CID 43699890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).