N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide

C12H14FNO — CID 17069288

IUPACN-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
SMILESCc1cc(F)ccc1NC(=O)C1CCC1
InChIInChI=1S/C12H14FNO/c1-8-7-10(13)5-6-11(8)14-12(15)9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,14,15)
InChIKeyNEPCBRKDIDZMQI-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.87
Rot. Bonds2

About N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide

N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide (PubChem CID 17069288) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
PubChem CID17069288
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC NameN-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
SMILESCc1cc(F)ccc1NC(=O)C1CCC1
InChIInChI=1S/C12H14FNO/c1-8-7-10(13)5-6-11(8)14-12(15)9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,14,15)
InChIKeyNEPCBRKDIDZMQI-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,5R)-N-(4-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 8863813
(1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 8865468
2-amino-N-(4-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119679603
N-(2-acetamido-5-fluorophenyl)cyclohexanecarboxamide
CID 113092924
N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide
CID 113093375
trans-(1R,2R)-2-[(4-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7472991
N-(4-fluoro-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339106
N-[2-(dimethylamino)-5-fluorophenyl]cyclobutanecarboxamide
CID 113092522
3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782434
N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide
CID 798737
N-(4-amino-2-methylphenyl)cycloheptanecarboxamide
CID 55091677
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide (CID 17069288) is N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide is Cc1cc(F)ccc1NC(=O)C1CCC1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide?
The InChIKey is NEPCBRKDIDZMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-8-7-10(13)5-6-11(8)14-12(15)9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,14,15).
What are the key properties of N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide?
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide has a molecular weight of 207.25 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 17069288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).