5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide

C14H22ClN3O — CID 82852474

IUPAC5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide
SMILESCC(N)CCCC(=O)Nc1ccc(N(C)C)c(Cl)c1
InChIInChI=1S/C14H22ClN3O/c1-10(16)5-4-6-14(19)17-11-7-8-13(18(2)3)12(15)9-11/h7-10H,4-6,16H2,1-3H3,(H,17,19)
InChIKeyZCQACZJXPOBRPX-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.86
Rot. Bonds6

About 5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide

5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide (PubChem CID 82852474) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide.

Molecular Properties

Compound Name5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide
PubChem CID82852474
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide
SMILESCC(N)CCCC(=O)Nc1ccc(N(C)C)c(Cl)c1
InChIInChI=1S/C14H22ClN3O/c1-10(16)5-4-6-14(19)17-11-7-8-13(18(2)3)12(15)9-11/h7-10H,4-6,16H2,1-3H3,(H,17,19)
InChIKeyZCQACZJXPOBRPX-UHFFFAOYSA-N
XLogP2.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide
CID 107909156
N-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide
CID 56540193
4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide
CID 81076197
5-amino-N-(3-chlorophenyl)hexanamide
CID 82849187
5-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 82848160
4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
CID 120558654
5-amino-N-(3,4-difluorophenyl)hexanamide
CID 82848790
2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide
CID 54862641
5-amino-N-[2-(dimethylamino)phenyl]hexanamide
CID 82847991
2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide
CID 54862720
4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride
CID 120562198
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide?
The IUPAC name of 5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide (CID 82852474) is 5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide.
What is the SMILES notation for 5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide?
The canonical SMILES for 5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide is CC(N)CCCC(=O)Nc1ccc(N(C)C)c(Cl)c1.
What is the InChIKey of 5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide?
The InChIKey is ZCQACZJXPOBRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10(16)5-4-6-14(19)17-11-7-8-13(18(2)3)12(15)9-11/h7-10H,4-6,16H2,1-3H3,(H,17,19).
What are the key properties of 5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide?
5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide has a molecular weight of 283.80 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide is sourced from PubChem (CID 82852474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).