N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide

C13H19FN4O2 — CID 83115693

IUPACN-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)NCCNC(N)=O
InChIInChI=1S/C13H19FN4O2/c1-2-6-16-11-9(4-3-5-10(11)14)12(19)17-7-8-18-13(15)20/h3-5,16H,2,6-8H2,1H3,(H,17,19)(H3,15,18,20)
InChIKeyDSHVQJATTSNHKR-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.05
Rot. Bonds7

About N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide

N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide (PubChem CID 83115693) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide
PubChem CID83115693
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC NameN-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)NCCNC(N)=O
InChIInChI=1S/C13H19FN4O2/c1-2-6-16-11-9(4-3-5-10(11)14)12(19)17-7-8-18-13(15)20/h3-5,16H,2,6-8H2,1H3,(H,17,19)(H3,15,18,20)
InChIKeyDSHVQJATTSNHKR-UHFFFAOYSA-N
XLogP1.05
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[2-(methanesulfonamido)ethyl]-2-(propylamino)benzamide
CID 62662394
N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide
CID 103464511
N-[2-(dimethylamino)propyl]-3-fluoro-2-(propylamino)benzamide
CID 62660881
3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 62649386
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide
CID 63501108
N-cyclobutyl-3-fluoro-2-(propylamino)benzamide
CID 62662485
3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide
CID 62650270
3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide
CID 106408836
3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide
CID 62662634
2,6-difluoro-N-propylaniline
CID 21161523
N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide
CID 82950249

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide (CID 83115693) is N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide is CCCNc1c(F)cccc1C(=O)NCCNC(N)=O.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide?
The InChIKey is DSHVQJATTSNHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O2/c1-2-6-16-11-9(4-3-5-10(11)14)12(19)17-7-8-18-13(15)20/h3-5,16H,2,6-8H2,1H3,(H,17,19)(H3,15,18,20).
What are the key properties of N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide?
N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide has a molecular weight of 282.32 g/mol, XLogP of 1.05, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide is sourced from PubChem (CID 83115693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).