N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide

C21H20FNO4 — CID 71946834

IUPACN-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
SMILESCOc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCc1cccc(F)c1
InChIInChI=1S/C21H20FNO4/c1-13-8-21(25)27-19-11-18(26-2)15(10-17(13)19)6-7-20(24)23-12-14-4-3-5-16(22)9-14/h3-5,8-11H,6-7,12H2,1-2H3,(H,23,24)
InChIKeyVQMHRGROZDJRMM-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.50
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide

N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide (PubChem CID 71946834) has the molecular formula C21H20FNO4 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
PubChem CID71946834
Molecular FormulaC21H20FNO4
Molecular Weight369.39 g/mol
Exact Mass369.14
IUPAC NameN-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
SMILESCOc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCc1cccc(F)c1
InChIInChI=1S/C21H20FNO4/c1-13-8-21(25)27-19-11-18(26-2)15(10-17(13)19)6-7-20(24)23-12-14-4-3-5-16(22)9-14/h3-5,8-11H,6-7,12H2,1-2H3,(H,23,24)
InChIKeyVQMHRGROZDJRMM-UHFFFAOYSA-N
XLogP3.50
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 42536058
methyl (2S)-2-[3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanoylamino]-3-phenylpropanoate
CID 56723795
N-(2-acetylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
CID 42581163
N-[2-(3-fluorophenyl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 18118760
N-[1-(2-methoxyethyl)indol-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
CID 56763715
3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 42536012
3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118791
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 110780014
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
CID 110755878
3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003498
3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide
CID 110786774
N-[(3-fluorophenyl)methyl]-3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide
CID 135872279

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide (CID 71946834) is N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide is COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide?
The InChIKey is VQMHRGROZDJRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4/c1-13-8-21(25)27-19-11-18(26-2)15(10-17(13)19)6-7-20(24)23-12-14-4-3-5-16(22)9-14/h3-5,8-11H,6-7,12H2,1-2H3,(H,23,24).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide?
N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide has a molecular weight of 369.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide is sourced from PubChem (CID 71946834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).