N-cyclopropyl-3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-fluorophenyl)methyl]propanamide

C24H24FNO3 — CID 18164949

IUPACN-cyclopropyl-3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
SMILESCc1ccc2c(C)c(CCC(=O)N(Cc3ccc(F)cc3)C3CC3)c(=O)oc2c1
InChIInChI=1S/C24H24FNO3/c1-15-3-10-20-16(2)21(24(28)29-22(20)13-15)11-12-23(27)26(19-8-9-19)14-17-4-6-18(25)7-5-17/h3-7,10,13,19H,8-9,11-12,14H2,1-2H3
InChIKeyPBGNJTIJAHWBRQ-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.67
Rot. Bonds6

About N-cyclopropyl-3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-fluorophenyl)methyl]propanamide

N-cyclopropyl-3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 18164949) has the molecular formula C24H24FNO3 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-cyclopropyl-3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID18164949
Molecular FormulaC24H24FNO3
Molecular Weight393.46 g/mol
Exact Mass393.17
IUPAC NameN-cyclopropyl-3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
SMILESCc1ccc2c(C)c(CCC(=O)N(Cc3ccc(F)cc3)C3CC3)c(=O)oc2c1
InChIInChI=1S/C24H24FNO3/c1-15-3-10-20-16(2)21(24(28)29-22(20)13-15)11-12-23(27)26(19-8-9-19)14-17-4-6-18(25)7-5-17/h3-7,10,13,19H,8-9,11-12,14H2,1-2H3
InChIKeyPBGNJTIJAHWBRQ-UHFFFAOYSA-N
XLogP4.67
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 34449428
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CID 24632596
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 24621480
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137281158
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
CID 24550294
3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 60936843
N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 78851901
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 18145814
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide
CID 40947046
4,7-dimethyl-3-[3-oxo-3-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propyl]chromen-2-one
CID 51940941
4-[[cyclopropyl-[3-(2,4-dimethylphenyl)propanoyl]amino]methyl]-N-methylbenzamide
CID 34183340

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of N-cyclopropyl-3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-fluorophenyl)methyl]propanamide (CID 18164949) is N-cyclopropyl-3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for N-cyclopropyl-3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-fluorophenyl)methyl]propanamide is Cc1ccc2c(C)c(CCC(=O)N(Cc3ccc(F)cc3)C3CC3)c(=O)oc2c1.
What is the InChIKey of N-cyclopropyl-3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is PBGNJTIJAHWBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO3/c1-15-3-10-20-16(2)21(24(28)29-22(20)13-15)11-12-23(27)26(19-8-9-19)14-17-4-6-18(25)7-5-17/h3-7,10,13,19H,8-9,11-12,14H2,1-2H3.
What are the key properties of N-cyclopropyl-3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-fluorophenyl)methyl]propanamide?
N-cyclopropyl-3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 393.46 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 18164949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).