tert-butyl N-[3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propyl]carbamate

C16H24FN3O3 — CID 103296906

IUPACtert-butyl N-[3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propyl]carbamate
SMILESCc1cc(N)cc(C(=O)NCCCNC(=O)OC(C)(C)C)c1F
InChIInChI=1S/C16H24FN3O3/c1-10-8-11(18)9-12(13(10)17)14(21)19-6-5-7-20-15(22)23-16(2,3)4/h8-9H,5-7,18H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyZLOXXADIJMLZGY-UHFFFAOYSA-N
MW325.38 g/mol
LogP2.36
Rot. Bonds5

About tert-butyl N-[3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propyl]carbamate

tert-butyl N-[3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propyl]carbamate (PubChem CID 103296906) has the molecular formula C16H24FN3O3 and a molecular weight of 325.38 g/mol. Its IUPAC name is tert-butyl N-[3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propyl]carbamate
PubChem CID103296906
Molecular FormulaC16H24FN3O3
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC Nametert-butyl N-[3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propyl]carbamate
SMILESCc1cc(N)cc(C(=O)NCCCNC(=O)OC(C)(C)C)c1F
InChIInChI=1S/C16H24FN3O3/c1-10-8-11(18)9-12(13(10)17)14(21)19-6-5-7-20-15(22)23-16(2,3)4/h8-9H,5-7,18H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyZLOXXADIJMLZGY-UHFFFAOYSA-N
XLogP2.36
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-3-methyl-N-pentylbenzamide
CID 103295782
tert-butyl N-[3-[(2,3,4,5-tetrafluorobenzoyl)amino]propyl]carbamate
CID 130257081
ethyl 3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propanoate
CID 103296353
5-amino-N-but-3-enyl-2-fluoro-3-methylbenzamide
CID 103296822
5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 103296755
tert-butyl N-[3-[(4-amino-3-methylbenzoyl)amino]propyl]carbamate
CID 104932611
tert-butyl N-[3-[(3-amino-4-methylbenzoyl)amino]propyl]carbamate
CID 104932578
tert-butyl N-[3-[(3-amino-5-bromo-2-methylbenzoyl)amino]propyl]carbamate
CID 107873195
5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide
CID 103296491
5-amino-N-(2,2-dimethylheptyl)-2-fluoro-3-methylbenzamide
CID 103296661
5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide
CID 103296492
tert-butyl N-[3-(4-amino-2,6-dichloroanilino)propyl]carbamate
CID 106890847

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propyl]carbamate (CID 103296906) is tert-butyl N-[3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propyl]carbamate is Cc1cc(N)cc(C(=O)NCCCNC(=O)OC(C)(C)C)c1F.
What is the InChIKey of tert-butyl N-[3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propyl]carbamate?
The InChIKey is ZLOXXADIJMLZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3/c1-10-8-11(18)9-12(13(10)17)14(21)19-6-5-7-20-15(22)23-16(2,3)4/h8-9H,5-7,18H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of tert-butyl N-[3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propyl]carbamate?
tert-butyl N-[3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propyl]carbamate has a molecular weight of 325.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propyl]carbamate is sourced from PubChem (CID 103296906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).