5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide

C20H23ClN2O3 — CID 108540869

IUPAC5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCNC(=O)CCc1ccc(C)cc1
InChIInChI=1S/C20H23ClN2O3/c1-14-3-5-15(6-4-14)7-10-19(24)22-11-12-23-20(25)17-13-16(21)8-9-18(17)26-2/h3-6,8-9,13H,7,10-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyALELZTQQTQGTRK-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.14
Rot. Bonds8

About 5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide

5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide (PubChem CID 108540869) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
PubChem CID108540869
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCNC(=O)CCc1ccc(C)cc1
InChIInChI=1S/C20H23ClN2O3/c1-14-3-5-15(6-4-14)7-10-19(24)22-11-12-23-20(25)17-13-16(21)8-9-18(17)26-2/h3-6,8-9,13H,7,10-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyALELZTQQTQGTRK-UHFFFAOYSA-N
XLogP3.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
5-chloro-2-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide
CID 108540833
5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide
CID 10645534
N-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide
CID 55974953
2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
CID 23453045
2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenyl]acetic acid
CID 25269110
N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 100541611
2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108574241
5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 170994520
N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 2608525
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide (CID 108540869) is 5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide is COc1ccc(Cl)cc1C(=O)NCCNC(=O)CCc1ccc(C)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide?
The InChIKey is ALELZTQQTQGTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-14-3-5-15(6-4-14)7-10-19(24)22-11-12-23-20(25)17-13-16(21)8-9-18(17)26-2/h3-6,8-9,13H,7,10-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide?
5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide has a molecular weight of 374.87 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide is sourced from PubChem (CID 108540869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).