4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide

C15H23FN2O — CID 62680023

IUPAC4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-10(2)8-18(9-11(3)4)15(19)12-5-6-14(17)13(16)7-12/h5-7,10-11H,8-9,17H2,1-4H3
InChIKeyZFBKEKVWKVXHEM-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.16
Rot. Bonds5

About 4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide

4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide (PubChem CID 62680023) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide
PubChem CID62680023
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-10(2)8-18(9-11(3)4)15(19)12-5-6-14(17)13(16)7-12/h5-7,10-11H,8-9,17H2,1-4H3
InChIKeyZFBKEKVWKVXHEM-UHFFFAOYSA-N
XLogP3.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-difluoro-N,N-bis(2-methylpropyl)benzamide
CID 63185021
3-[(4-amino-3-fluorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 55158896
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
4-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 17386163
5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide
CID 61094085
4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 62678688
4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide
CID 63956728
4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide
CID 60954175
4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide
CID 55228481
N-ethyl-3-fluoro-N-(2-methylpropyl)-4-nitrobenzamide
CID 62680393
4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide
CID 61378658
2-amino-5-hydroxy-N,N-bis(2-methylpropyl)benzamide
CID 107074162

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide?
The IUPAC name of 4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide (CID 62680023) is 4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide?
The canonical SMILES for 4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide is CC(C)CN(CC(C)C)C(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide?
The InChIKey is ZFBKEKVWKVXHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10(2)8-18(9-11(3)4)15(19)12-5-6-14(17)13(16)7-12/h5-7,10-11H,8-9,17H2,1-4H3.
What are the key properties of 4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide?
4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide has a molecular weight of 266.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide is sourced from PubChem (CID 62680023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).