4-acetamido-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide

C16H19ClN4O3 — CID 3965809

IUPAC4-acetamido-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C16H19ClN4O3/c1-11(22)20-14-9-15(24-2)12(8-13(14)17)16(23)19-4-3-6-21-7-5-18-10-21/h5,7-10H,3-4,6H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyCUHIBNXABKDUEF-UHFFFAOYSA-N
MW350.81 g/mol
LogP2.32
Rot. Bonds7

About 4-acetamido-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide

4-acetamido-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide (PubChem CID 3965809) has the molecular formula C16H19ClN4O3 and a molecular weight of 350.81 g/mol. Its IUPAC name is 4-acetamido-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-acetamido-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
PubChem CID3965809
Molecular FormulaC16H19ClN4O3
Molecular Weight350.81 g/mol
Exact Mass350.11
IUPAC Name4-acetamido-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C16H19ClN4O3/c1-11(22)20-14-9-15(24-2)12(8-13(14)17)16(23)19-4-3-6-21-7-5-18-10-21/h5,7-10H,3-4,6H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyCUHIBNXABKDUEF-UHFFFAOYSA-N
XLogP2.32
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
CID 4784712
4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 154085397
4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide
CID 4006974
3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide
CID 51155753
4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
CID 51250642
5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 107183495
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-[ethyl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxybenzamide
CID 30149467
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide?
The IUPAC name of 4-acetamido-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide (CID 3965809) is 4-acetamido-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide.
What is the SMILES notation for 4-acetamido-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide?
The canonical SMILES for 4-acetamido-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide is COc1cc(NC(C)=O)c(Cl)cc1C(=O)NCCCn1ccnc1.
What is the InChIKey of 4-acetamido-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide?
The InChIKey is CUHIBNXABKDUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3/c1-11(22)20-14-9-15(24-2)12(8-13(14)17)16(23)19-4-3-6-21-7-5-18-10-21/h5,7-10H,3-4,6H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 4-acetamido-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide?
4-acetamido-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide has a molecular weight of 350.81 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide is sourced from PubChem (CID 3965809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).