N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide

C14H18ClFN2O2 — CID 115609101

IUPACN-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide
SMILESCC(C)(C)NC(=O)CCNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C14H18ClFN2O2/c1-14(2,3)18-12(19)6-7-17-13(20)10-8-9(15)4-5-11(10)16/h4-5,8H,6-7H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyOOPPJKDTSDOLQL-UHFFFAOYSA-N
MW300.76 g/mol
LogP2.51
Rot. Bonds4

About N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide

N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide (PubChem CID 115609101) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide
PubChem CID115609101
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC NameN-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide
SMILESCC(C)(C)NC(=O)CCNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C14H18ClFN2O2/c1-14(2,3)18-12(19)6-7-17-13(20)10-8-9(15)4-5-11(10)16/h4-5,8H,6-7H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyOOPPJKDTSDOLQL-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(tert-butylamino)-3-oxopropyl]-2-fluoro-5-methylbenzamide
CID 115609087
N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide
CID 47365751
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
N-tert-butyl-3-(3-chloroanilino)propanamide
CID 109031344
N-[2-(tert-butylamino)-2-oxoethyl]-2-fluoro-5-sulfanylbenzamide
CID 107033256
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
5-chloro-2-fluoro-N-(3-iodopropyl)benzamide
CID 114504102
5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 32559967
N-(2-azidoethyl)-5-chloro-2-fluorobenzamide
CID 61343785
5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide
CID 106143106
N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-2-hydrazinylbenzamide
CID 115357292
S-[2-[(3-amino-3-oxopropyl)carbamoyl]-4-chlorophenyl] N-tert-butylcarbamothioate
CID 504521

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide?
The IUPAC name of N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide (CID 115609101) is N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide.
What is the SMILES notation for N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide?
The canonical SMILES for N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide is CC(C)(C)NC(=O)CCNC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide?
The InChIKey is OOPPJKDTSDOLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c1-14(2,3)18-12(19)6-7-17-13(20)10-8-9(15)4-5-11(10)16/h4-5,8H,6-7H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide?
N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide has a molecular weight of 300.76 g/mol, XLogP of 2.51, 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]-5-chloro-2-fluorobenzamide is sourced from PubChem (CID 115609101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).