3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide

C12H14FNO — CID 178058411

IUPAC3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide
SMILESCC1(F)CC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C12H14FNO/c1-12(13)7-9(8-12)11(15)14-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,15)
InChIKeyBOFQTYXMPWTXGS-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.76
Rot. Bonds2

About 3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide

3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide (PubChem CID 178058411) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide
PubChem CID178058411
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide
SMILESCC1(F)CC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C12H14FNO/c1-12(13)7-9(8-12)11(15)14-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,15)
InChIKeyBOFQTYXMPWTXGS-UHFFFAOYSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-phenylcyclobutane-1-carboxamide
CID 121011883
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide
CID 110178754
(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide
CID 7946169
2,2,6,6-tetramethyl-1-(3-oxobutyl)-N-phenylpiperidine-4-carboxamide
CID 21409714
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide
CID 126781653
N-phenyl-2,3-dihydro-1H-indene-2-carboxamide
CID 112520410
4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150290
5,5-dimethyl-2-oxo-N-phenyloxolane-3-carboxamide
CID 3473493
4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147706
cis-(1R,3R)-1,2,2-trimethyl-1-N,3-N-diphenylcyclopentane-1,3-dicarboxamide
CID 28765338

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide?
The IUPAC name of 3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide (CID 178058411) is 3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide?
The canonical SMILES for 3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide is CC1(F)CC(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide?
The InChIKey is BOFQTYXMPWTXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-12(13)7-9(8-12)11(15)14-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,15).
What are the key properties of 3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide?
3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide has a molecular weight of 207.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 178058411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).