5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide

C14H21ClN2O — CID 43697963

IUPAC5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide
SMILESCN(C)Cc1cccc(NC(=O)CCCCCl)c1
InChIInChI=1S/C14H21ClN2O/c1-17(2)11-12-6-5-7-13(10-12)16-14(18)8-3-4-9-15/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,16,18)
InChIKeyJGOUCBHFZJVPHB-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.10
Rot. Bonds7

About 5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide

5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide (PubChem CID 43697963) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide
PubChem CID43697963
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide
SMILESCN(C)Cc1cccc(NC(=O)CCCCCl)c1
InChIInChI=1S/C14H21ClN2O/c1-17(2)11-12-6-5-7-13(10-12)16-14(18)8-3-4-9-15/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,16,18)
InChIKeyJGOUCBHFZJVPHB-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.10
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

N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide
CID 43699890
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide
CID 87001037
2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride
CID 119853176
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide
CID 43346819
5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
CID 82011163
N-[3-(chloromethyl)phenyl]hexanamide
CID 114293212
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 86979126
3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 86931919
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 86979131
(2S)-2-amino-3-[3-(6-chlorohexanoylamino)phenyl]propanoic acid
CID 155319755
3-chloro-N-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanamide
CID 62727196
N-[3-(butanoylamino)phenyl]-4-chlorobutanamide
CID 17187674

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide?
The IUPAC name of 5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide (CID 43697963) is 5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide?
The canonical SMILES for 5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide is CN(C)Cc1cccc(NC(=O)CCCCCl)c1.
What is the InChIKey of 5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide?
The InChIKey is JGOUCBHFZJVPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-17(2)11-12-6-5-7-13(10-12)16-14(18)8-3-4-9-15/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,16,18).
What are the key properties of 5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide?
5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide has a molecular weight of 268.79 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide is sourced from PubChem (CID 43697963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).