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

C14H17ClN4O2 — CID 4784712

IUPAC4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C14H17ClN4O2/c1-21-13-8-12(16)11(15)7-10(13)14(20)18-3-2-5-19-6-4-17-9-19/h4,6-9H,2-3,5,16H2,1H3,(H,18,20)
InChIKeyBWQWZGQBKOTVRT-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.95
Rot. Bonds6

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

4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide (PubChem CID 4784712) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
PubChem CID4784712
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C14H17ClN4O2/c1-21-13-8-12(16)11(15)7-10(13)14(20)18-3-2-5-19-6-4-17-9-19/h4,6-9H,2-3,5,16H2,1H3,(H,18,20)
InChIKeyBWQWZGQBKOTVRT-UHFFFAOYSA-N
XLogP1.95
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
CID 3965809
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
4-amino-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxybenzamide
CID 119681221
4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 107183495
4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 122080182
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
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842
2-[ethyl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxybenzamide
CID 30149467
4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride
CID 119763146

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide (CID 4784712) is 4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide is COc1cc(N)c(Cl)cc1C(=O)NCCCn1ccnc1.
What is the InChIKey of 4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide?
The InChIKey is BWQWZGQBKOTVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-21-13-8-12(16)11(15)7-10(13)14(20)18-3-2-5-19-6-4-17-9-19/h4,6-9H,2-3,5,16H2,1H3,(H,18,20).
What are the key properties of 4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide?
4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide has a molecular weight of 308.77 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide is sourced from PubChem (CID 4784712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).