N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1H-imidazol-5-yl)propanamide

C14H16ClN3O2 — CID 110698008

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-(1H-imidazol-5-yl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCc1cnc[nH]1
InChIInChI=1S/C14H16ClN3O2/c1-9-5-12(13(20-2)6-11(9)15)18-14(19)4-3-10-7-16-8-17-10/h5-8H,3-4H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyIBVAGPNVUQQVBI-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.95
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1H-imidazol-5-yl)propanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1H-imidazol-5-yl)propanamide (PubChem CID 110698008) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(1H-imidazol-5-yl)propanamide
PubChem CID110698008
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(1H-imidazol-5-yl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCc1cnc[nH]1
InChIInChI=1S/C14H16ClN3O2/c1-9-5-12(13(20-2)6-11(9)15)18-14(19)4-3-10-7-16-8-17-10/h5-8H,3-4H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyIBVAGPNVUQQVBI-UHFFFAOYSA-N
XLogP2.95
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
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N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
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CID 110333731
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
CID 79018979
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
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N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide
CID 9397958
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(diaminomethylideneamino)propanamide;hydroiodide
CID 111630099
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 4781884

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1H-imidazol-5-yl)propanamide (CID 110698008) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1H-imidazol-5-yl)propanamide is COc1cc(Cl)c(C)cc1NC(=O)CCc1cnc[nH]1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1H-imidazol-5-yl)propanamide?
The InChIKey is IBVAGPNVUQQVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9-5-12(13(20-2)6-11(9)15)18-14(19)4-3-10-7-16-8-17-10/h5-8H,3-4H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1H-imidazol-5-yl)propanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 293.75 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 110698008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).