N-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide

C19H20ClFN2O3 — CID 55974953

IUPACN-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide
SMILESCOc1ccc(CCC(=O)NCCNC(=O)c2ccccc2F)cc1Cl
InChIInChI=1S/C19H20ClFN2O3/c1-26-17-8-6-13(12-15(17)20)7-9-18(24)22-10-11-23-19(25)14-4-2-3-5-16(14)21/h2-6,8,12H,7,9-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyCYKFBGUZCSZKNE-UHFFFAOYSA-N
MW378.83 g/mol
LogP2.97
Rot. Bonds8

About N-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide

N-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide (PubChem CID 55974953) has the molecular formula C19H20ClFN2O3 and a molecular weight of 378.83 g/mol. Its IUPAC name is N-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide
PubChem CID55974953
Molecular FormulaC19H20ClFN2O3
Molecular Weight378.83 g/mol
Exact Mass378.11
IUPAC NameN-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide
SMILESCOc1ccc(CCC(=O)NCCNC(=O)c2ccccc2F)cc1Cl
InChIInChI=1S/C19H20ClFN2O3/c1-26-17-8-6-13(12-15(17)20)7-9-18(24)22-10-11-23-19(25)14-4-2-3-5-16(14)21/h2-6,8,12H,7,9-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyCYKFBGUZCSZKNE-UHFFFAOYSA-N
XLogP2.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 52.97
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

N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-2-hydroxybenzamide
CID 108540073
5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108540869
2-bromo-N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]benzamide
CID 108539137
2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide
CID 55974318
3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55512219
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide
CID 60551379
N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-fluorobenzamide
CID 110790226
3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide
CID 55566725
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 9083338
3-(3-chloro-4-methoxyphenyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103723354
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide
CID 54785477

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide (CID 55974953) is N-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide is COc1ccc(CCC(=O)NCCNC(=O)c2ccccc2F)cc1Cl.
What is the InChIKey of N-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide?
The InChIKey is CYKFBGUZCSZKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3/c1-26-17-8-6-13(12-15(17)20)7-9-18(24)22-10-11-23-19(25)14-4-2-3-5-16(14)21/h2-6,8,12H,7,9-11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide?
N-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide has a molecular weight of 378.83 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 55974953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).