N-(3,4-dichlorophenyl)-2-(3-imidazol-1-ylpropylamino)acetamide

C14H16Cl2N4O — CID 17066764

IUPACN-(3,4-dichlorophenyl)-2-(3-imidazol-1-ylpropylamino)acetamide
SMILESO=C(CNCCCn1ccnc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N4O/c15-12-3-2-11(8-13(12)16)19-14(21)9-17-4-1-6-20-7-5-18-10-20/h2-3,5,7-8,10,17H,1,4,6,9H2,(H,19,21)
InChIKeyBMCVDJXNAQKBCB-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.81
Rot. Bonds7

About N-(3,4-dichlorophenyl)-2-(3-imidazol-1-ylpropylamino)acetamide

N-(3,4-dichlorophenyl)-2-(3-imidazol-1-ylpropylamino)acetamide (PubChem CID 17066764) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(3-imidazol-1-ylpropylamino)acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(3-imidazol-1-ylpropylamino)acetamide
PubChem CID17066764
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC NameN-(3,4-dichlorophenyl)-2-(3-imidazol-1-ylpropylamino)acetamide
SMILESO=C(CNCCCn1ccnc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N4O/c15-12-3-2-11(8-13(12)16)19-14(21)9-17-4-1-6-20-7-5-18-10-20/h2-3,5,7-8,10,17H,1,4,6,9H2,(H,19,21)
InChIKeyBMCVDJXNAQKBCB-UHFFFAOYSA-N
XLogP2.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-imidazol-1-ylpropylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17066686
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773
N-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358474
2-(3-imidazol-1-ylpropylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 17066696
N-[(3,4-dichlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61069624
N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide
CID 16791927
1-(4-bromo-3-chlorophenyl)-3-(3-imidazol-1-ylpropyl)thiourea
CID 100664878
1-(3-chloro-4-thiomorpholin-4-ylphenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 60612019
2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide
CID 109002904
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
2-(3-imidazol-1-ylpropylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 17066757

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(3-imidazol-1-ylpropylamino)acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(3-imidazol-1-ylpropylamino)acetamide (CID 17066764) is N-(3,4-dichlorophenyl)-2-(3-imidazol-1-ylpropylamino)acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(3-imidazol-1-ylpropylamino)acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(3-imidazol-1-ylpropylamino)acetamide is O=C(CNCCCn1ccnc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(3-imidazol-1-ylpropylamino)acetamide?
The InChIKey is BMCVDJXNAQKBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c15-12-3-2-11(8-13(12)16)19-14(21)9-17-4-1-6-20-7-5-18-10-20/h2-3,5,7-8,10,17H,1,4,6,9H2,(H,19,21).
What are the key properties of N-(3,4-dichlorophenyl)-2-(3-imidazol-1-ylpropylamino)acetamide?
N-(3,4-dichlorophenyl)-2-(3-imidazol-1-ylpropylamino)acetamide has a molecular weight of 327.22 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(3-imidazol-1-ylpropylamino)acetamide is sourced from PubChem (CID 17066764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).