N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide

C11H14FN3O2 — CID 78995301

IUPACN-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCCNC(N)=O)ccc1F
InChIInChI=1S/C11H14FN3O2/c1-7-6-8(2-3-9(7)12)10(16)14-4-5-15-11(13)17/h2-3,6H,4-5H2,1H3,(H,14,16)(H3,13,15,17)
InChIKeyBFKVTCYUQGIUAT-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.53
Rot. Bonds4

About N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide

N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide (PubChem CID 78995301) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide
PubChem CID78995301
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC NameN-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCCNC(N)=O)ccc1F
InChIInChI=1S/C11H14FN3O2/c1-7-6-8(2-3-9(7)12)10(16)14-4-5-15-11(13)17/h2-3,6H,4-5H2,1H3,(H,14,16)(H3,13,15,17)
InChIKeyBFKVTCYUQGIUAT-UHFFFAOYSA-N
XLogP0.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-4-fluoro-3-methylbenzamide
CID 63208781
N-(4-amino-4-sulfanylidenebutyl)-4-fluoro-3-methylbenzamide
CID 63210296
N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide
CID 115611491
4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
CID 63212522
N-(2-amino-2-sulfanylideneethyl)-4-fluoro-3-methylbenzamide
CID 63210073
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 78993906
4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide
CID 107317159
N-(4-chlorobutyl)-4-fluoro-3-methylbenzamide
CID 106845201
N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride
CID 91659401
N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63209632
4-fluoro-3-methyl-N-(4-methylsulfanylbutyl)benzamide
CID 115635798
N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide (CID 78995301) is N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NCCNC(N)=O)ccc1F.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide?
The InChIKey is BFKVTCYUQGIUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-7-6-8(2-3-9(7)12)10(16)14-4-5-15-11(13)17/h2-3,6H,4-5H2,1H3,(H,14,16)(H3,13,15,17).
What are the key properties of N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide?
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide has a molecular weight of 239.25 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 78995301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).