N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide

C13H19ClN2O2 — CID 79204123

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C13H19ClN2O2/c1-9(17)4-7-13(18)15-11-8-10(14)5-6-12(11)16(2)3/h5-6,8-9,17H,4,7H2,1-3H3,(H,15,18)
InChIKeyQWVQLCXVPQGKIQ-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.51
Rot. Bonds5

About N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide

N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide (PubChem CID 79204123) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide
PubChem CID79204123
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C13H19ClN2O2/c1-9(17)4-7-13(18)15-11-8-10(14)5-6-12(11)16(2)3/h5-6,8-9,17H,4,7H2,1-3H3,(H,15,18)
InChIKeyQWVQLCXVPQGKIQ-UHFFFAOYSA-N
XLogP2.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide
CID 43710281
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide
CID 112687413
7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride
CID 119858077
N-(4-chloro-2-fluorophenyl)-4-hydroxypentanamide
CID 79191552
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084
N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide
CID 79204145
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 55104508
1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 111435033
N-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide
CID 111488552
N-[5-chloro-2-(dimethylamino)phenyl]-2-[4-(difluoromethoxy)phenyl]acetamide
CID 55383304
N-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131890592

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide (CID 79204123) is N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide is CC(O)CCC(=O)Nc1cc(Cl)ccc1N(C)C.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide?
The InChIKey is QWVQLCXVPQGKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(17)4-7-13(18)15-11-8-10(14)5-6-12(11)16(2)3/h5-6,8-9,17H,4,7H2,1-3H3,(H,15,18).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide?
N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide has a molecular weight of 270.76 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide is sourced from PubChem (CID 79204123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).