N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide

C14H19FN2O2 — CID 47365751

IUPACN-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide
SMILESCC(C)(C)NC(=O)CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2/c1-14(2,3)17-12(18)8-9-16-13(19)10-4-6-11(15)7-5-10/h4-7H,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyXCSIDWVVBJGCNC-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.86
Rot. Bonds4

About N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide

N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide (PubChem CID 47365751) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide
PubChem CID47365751
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide
SMILESCC(C)(C)NC(=O)CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2/c1-14(2,3)17-12(18)8-9-16-13(19)10-4-6-11(15)7-5-10/h4-7H,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyXCSIDWVVBJGCNC-UHFFFAOYSA-N
XLogP1.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[(4-fluorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid
CID 119357551
N-tert-butyl-3-(4-fluoroanilino)propanamide
CID 109031342
N-[2-(tert-butylcarbamothioylamino)ethyl]-4-fluorobenzamide
CID 47510244
N-[3-(tert-butylamino)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide
CID 115609109
4-[4-[(4-fluorobenzoyl)amino]butanoylamino]-4-methylpentanoic acid
CID 119204694
N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191330
4-tert-butyl-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide
CID 110878328
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide
CID 115609101
4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 4795367
N-[3-(tert-butylamino)-3-oxopropyl]-2-fluoro-5-methylbenzamide
CID 115609087
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide?
The IUPAC name of N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide (CID 47365751) is N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide is CC(C)(C)NC(=O)CCNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide?
The InChIKey is XCSIDWVVBJGCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-14(2,3)17-12(18)8-9-16-13(19)10-4-6-11(15)7-5-10/h4-7H,8-9H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide?
N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide has a molecular weight of 266.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide is sourced from PubChem (CID 47365751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).