N-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-4-fluorophenyl]acetamide

C20H19FN2O3 — CID 34067725

IUPACN-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NCc2cc(=O)oc3c(C)c(C)ccc23)c1
InChIInChI=1S/C20H19FN2O3/c1-11-4-6-16-14(8-19(25)26-20(16)12(11)2)10-22-18-9-15(23-13(3)24)5-7-17(18)21/h4-9,22H,10H2,1-3H3,(H,23,24)
InChIKeyIKBFZVNFTVHJLQ-UHFFFAOYSA-N
MW354.38 g/mol
LogP4.12
Rot. Bonds4

About N-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-4-fluorophenyl]acetamide

N-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-4-fluorophenyl]acetamide (PubChem CID 34067725) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-4-fluorophenyl]acetamide
PubChem CID34067725
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC NameN-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NCc2cc(=O)oc3c(C)c(C)ccc23)c1
InChIInChI=1S/C20H19FN2O3/c1-11-4-6-16-14(8-19(25)26-20(16)12(11)2)10-22-18-9-15(23-13(3)24)5-7-17(18)21/h4-9,22H,10H2,1-3H3,(H,23,24)
InChIKeyIKBFZVNFTVHJLQ-UHFFFAOYSA-N
XLogP4.12
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylphenyl]acetamide
CID 34068677
4-[(4-acetylanilino)methyl]-7,8-dimethylchromen-2-one
CID 9345895
4-[(5-chloro-2-methoxyanilino)methyl]-7,8-dimethylchromen-2-one
CID 9346165
3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylbenzamide
CID 60537644
N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672518
4-[(4-bromo-3-methylanilino)methyl]-7,8-dimethylchromen-2-one
CID 7928687
N-[3-[(5-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide
CID 103696999
N-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide
CID 115868166
4-[(2,4-dimethylanilino)methyl]-7-hydroxy-8-methylchromen-2-one
CID 9345429
2-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-N-(furan-2-ylmethyl)benzamide
CID 9347174
4-(bromomethyl)-7,8-dimethylchromen-2-one
CID 91484430
N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide
CID 55161647

Frequently Asked Questions

What is the IUPAC name of N-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-4-fluorophenyl]acetamide?
The IUPAC name of N-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-4-fluorophenyl]acetamide (CID 34067725) is N-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-4-fluorophenyl]acetamide?
The canonical SMILES for N-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-4-fluorophenyl]acetamide is CC(=O)Nc1ccc(F)c(NCc2cc(=O)oc3c(C)c(C)ccc23)c1.
What is the InChIKey of N-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-4-fluorophenyl]acetamide?
The InChIKey is IKBFZVNFTVHJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-11-4-6-16-14(8-19(25)26-20(16)12(11)2)10-22-18-9-15(23-13(3)24)5-7-17(18)21/h4-9,22H,10H2,1-3H3,(H,23,24).
What are the key properties of N-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-4-fluorophenyl]acetamide?
N-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-4-fluorophenyl]acetamide has a molecular weight of 354.38 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-4-fluorophenyl]acetamide is sourced from PubChem (CID 34067725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).