N-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide

C15H21FN2O2 — CID 80718445

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cccc(C)c1F
InChIInChI=1S/C15H21FN2O2/c1-4-11(3)18-13(19)8-9-17-15(20)12-7-5-6-10(2)14(12)16/h5-7,11H,4,8-9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyJMUUPPSFPYSIKV-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.17
Rot. Bonds6

About N-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide (PubChem CID 80718445) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide
PubChem CID80718445
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cccc(C)c1F
InChIInChI=1S/C15H21FN2O2/c1-4-11(3)18-13(19)8-9-17-15(20)12-7-5-6-10(2)14(12)16/h5-7,11H,4,8-9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyJMUUPPSFPYSIKV-UHFFFAOYSA-N
XLogP2.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(butan-2-ylamino)-3-oxopropyl]-2,3-dihydroxybenzamide
CID 114344226
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide
CID 62662116
3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 61140590
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide
CID 61150251
4-ethyl-6-[(2-fluoro-3-methylbenzoyl)amino]hexanoic acid
CID 81479895
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191435
2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47221536
N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512650
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide
CID 62242210
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-fluoro-3-methylbenzamide
CID 81477532
2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 113351832

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide (CID 80718445) is N-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide is CCC(C)NC(=O)CCNC(=O)c1cccc(C)c1F.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide?
The InChIKey is JMUUPPSFPYSIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-4-11(3)18-13(19)8-9-17-15(20)12-7-5-6-10(2)14(12)16/h5-7,11H,4,8-9H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide has a molecular weight of 280.34 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 80718445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).