N-butan-2-yl-3-fluoro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide

C24H25FN2O2 — CID 42699050

IUPACN-butan-2-yl-3-fluoro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide
SMILESCCC(C)N(CCC(=O)Nc1ccc2ccccc2c1)C(=O)c1cccc(F)c1
InChIInChI=1S/C24H25FN2O2/c1-3-17(2)27(24(29)20-9-6-10-21(25)15-20)14-13-23(28)26-22-12-11-18-7-4-5-8-19(18)16-22/h4-12,15-17H,3,13-14H2,1-2H3,(H,26,28)
InChIKeyMYWFSRVBWZSXFZ-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.25
Rot. Bonds7

About N-butan-2-yl-3-fluoro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide

N-butan-2-yl-3-fluoro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide (PubChem CID 42699050) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is N-butan-2-yl-3-fluoro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-fluoro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide
PubChem CID42699050
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC NameN-butan-2-yl-3-fluoro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide
SMILESCCC(C)N(CCC(=O)Nc1ccc2ccccc2c1)C(=O)c1cccc(F)c1
InChIInChI=1S/C24H25FN2O2/c1-3-17(2)27(24(29)20-9-6-10-21(25)15-20)14-13-23(28)26-22-12-11-18-7-4-5-8-19(18)16-22/h4-12,15-17H,3,13-14H2,1-2H3,(H,26,28)
InChIKeyMYWFSRVBWZSXFZ-UHFFFAOYSA-N
XLogP5.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-chloro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide
CID 42699036
3-[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide
CID 42699211
3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide
CID 42699212
3-[acetyl(butan-2-yl)amino]-N-(3-methoxyphenyl)propanamide
CID 113116238
N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane
CID 142548394
3-[acetyl(butan-2-yl)amino]-N-(3-chlorophenyl)propanamide
CID 113116225
N,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide
CID 9093109
3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide
CID 113116212
3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide
CID 60501159
N-naphthalen-2-yl-8-oxononanamide
CID 156626701
3-(ethylamino)-N-naphthalen-2-ylpropanamide
CID 62833227
3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide
CID 113116226

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-fluoro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide?
The IUPAC name of N-butan-2-yl-3-fluoro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide (CID 42699050) is N-butan-2-yl-3-fluoro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for N-butan-2-yl-3-fluoro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide?
The canonical SMILES for N-butan-2-yl-3-fluoro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide is CCC(C)N(CCC(=O)Nc1ccc2ccccc2c1)C(=O)c1cccc(F)c1.
What is the InChIKey of N-butan-2-yl-3-fluoro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide?
The InChIKey is MYWFSRVBWZSXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-3-17(2)27(24(29)20-9-6-10-21(25)15-20)14-13-23(28)26-22-12-11-18-7-4-5-8-19(18)16-22/h4-12,15-17H,3,13-14H2,1-2H3,(H,26,28).
What are the key properties of N-butan-2-yl-3-fluoro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide?
N-butan-2-yl-3-fluoro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide has a molecular weight of 392.47 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-fluoro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 42699050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).