4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide

C14H18F2N2O — CID 63994420

IUPAC4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide
SMILESCCC(CC1CC1)NC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C14H18F2N2O/c1-2-10(5-8-3-4-8)18-14(19)9-6-11(15)13(17)12(16)7-9/h6-8,10H,2-5,17H2,1H3,(H,18,19)
InChIKeyGTWVACPPAOPMPL-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.86
Rot. Bonds5

About 4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide

4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide (PubChem CID 63994420) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide
PubChem CID63994420
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide
SMILESCCC(CC1CC1)NC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C14H18F2N2O/c1-2-10(5-8-3-4-8)18-14(19)9-6-11(15)13(17)12(16)7-9/h6-8,10H,2-5,17H2,1H3,(H,18,19)
InChIKeyGTWVACPPAOPMPL-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
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-pentan-3-ylbenzamide
CID 63187133
4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide
CID 63994432
6-amino-N-(1-cyclopropylbutan-2-yl)pyridine-3-carboxamide
CID 63994023
N-(1-cyclopropylbutan-2-yl)-5-iodothiophene-3-carboxamide
CID 78958436
N-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide
CID 63996800
3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide
CID 55157890
3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide
CID 62092742
N-(1-cyclopropylbutan-2-yl)-3-methyl-4-(methylamino)benzamide
CID 63994419
4-amino-N-(1-cyclopropylbutan-2-yl)-1-ethylpyrrole-2-carboxamide
CID 63995018
5-(1-cyclopropylbutan-2-ylcarbamoyl)furan-3-carboxylic acid
CID 104607621
4-(1-cyclopropylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113385031
5-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-4-carboxamide
CID 113288604

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide?
The IUPAC name of 4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide (CID 63994420) is 4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide is CCC(CC1CC1)NC(=O)c1cc(F)c(N)c(F)c1.
What is the InChIKey of 4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide?
The InChIKey is GTWVACPPAOPMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-2-10(5-8-3-4-8)18-14(19)9-6-11(15)13(17)12(16)7-9/h6-8,10H,2-5,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide?
4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide has a molecular weight of 268.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide is sourced from PubChem (CID 63994420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).