N-(2-chloro-4-fluorophenyl)-4-naphthalen-2-yl-4-oxobutanamide

C20H15ClFNO2 — CID 9079758

IUPACN-(2-chloro-4-fluorophenyl)-4-naphthalen-2-yl-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C20H15ClFNO2/c21-17-12-16(22)7-8-18(17)23-20(25)10-9-19(24)15-6-5-13-3-1-2-4-14(13)11-15/h1-8,11-12H,9-10H2,(H,23,25)
InChIKeyNGIAHYSBZHUJHP-UHFFFAOYSA-N
MW355.80 g/mol
LogP5.23
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-4-naphthalen-2-yl-4-oxobutanamide

N-(2-chloro-4-fluorophenyl)-4-naphthalen-2-yl-4-oxobutanamide (PubChem CID 9079758) has the molecular formula C20H15ClFNO2 and a molecular weight of 355.80 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-naphthalen-2-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-naphthalen-2-yl-4-oxobutanamide
PubChem CID9079758
Molecular FormulaC20H15ClFNO2
Molecular Weight355.80 g/mol
Exact Mass355.08
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-naphthalen-2-yl-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C20H15ClFNO2/c21-17-12-16(22)7-8-18(17)23-20(25)10-9-19(24)15-6-5-13-3-1-2-4-14(13)11-15/h1-8,11-12H,9-10H2,(H,23,25)
InChIKeyNGIAHYSBZHUJHP-UHFFFAOYSA-N
XLogP5.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.80
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide
CID 9073279
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide
CID 54920451
N-ethyl-4-naphthalen-2-yl-4-oxobutanamide
CID 9076388
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-chloro-4-fluorophenyl)acetamide
CID 7613239
4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide
CID 26364301
N-(2,4-difluorophenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9165021
N-(4-fluoro-3-nitrophenyl)-4-naphthalen-2-yl-4-oxobutanamide
CID 9077002
N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 60852332
2-(1-bromonaphthalen-2-yl)oxy-N-(2-chloro-4-fluorophenyl)acetamide
CID 7642313
3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 61095535
N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9211912

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-naphthalen-2-yl-4-oxobutanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-naphthalen-2-yl-4-oxobutanamide (CID 9079758) is N-(2-chloro-4-fluorophenyl)-4-naphthalen-2-yl-4-oxobutanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-naphthalen-2-yl-4-oxobutanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-naphthalen-2-yl-4-oxobutanamide is O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-naphthalen-2-yl-4-oxobutanamide?
The InChIKey is NGIAHYSBZHUJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFNO2/c21-17-12-16(22)7-8-18(17)23-20(25)10-9-19(24)15-6-5-13-3-1-2-4-14(13)11-15/h1-8,11-12H,9-10H2,(H,23,25).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-naphthalen-2-yl-4-oxobutanamide?
N-(2-chloro-4-fluorophenyl)-4-naphthalen-2-yl-4-oxobutanamide has a molecular weight of 355.80 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-naphthalen-2-yl-4-oxobutanamide is sourced from PubChem (CID 9079758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).