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

C15H22FN3O2 — CID 62662116

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cccc(F)c1NC
InChIInChI=1S/C15H22FN3O2/c1-4-10(2)19-13(20)8-9-18-15(21)11-6-5-7-12(16)14(11)17-3/h5-7,10,17H,4,8-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyJUQAJQXMYMSJBO-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.90
Rot. Bonds7

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

N-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide (PubChem CID 62662116) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide
PubChem CID62662116
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cccc(F)c1NC
InChIInChI=1S/C15H22FN3O2/c1-4-10(2)19-13(20)8-9-18-15(21)11-6-5-7-12(16)14(11)17-3/h5-7,10,17H,4,8-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyJUQAJQXMYMSJBO-UHFFFAOYSA-N
XLogP1.90
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide
CID 80718445
N-[3-(butan-2-ylamino)-3-oxopropyl]-2,3-dihydroxybenzamide
CID 114344226
3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide
CID 55101629
3-fluoro-2-(methylamino)-N-(2-methylbutyl)benzamide
CID 62692727
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide
CID 61150251
3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 61140590
N-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide
CID 62650175
N-(2-ethoxypropyl)-3-fluoro-2-(methylamino)benzamide
CID 113478177
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide
CID 62242210
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191435
3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64641542
N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(methylamino)pyridine-3-carboxamide
CID 62177053

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide (CID 62662116) is N-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide is CCC(C)NC(=O)CCNC(=O)c1cccc(F)c1NC.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide?
The InChIKey is JUQAJQXMYMSJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-4-10(2)19-13(20)8-9-18-15(21)11-6-5-7-12(16)14(11)17-3/h5-7,10,17H,4,8-9H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide has a molecular weight of 295.36 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide is sourced from PubChem (CID 62662116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).