N-(2-fluoro-4-methyl-6-propoxyphenyl)formamide

C11H14FNO2 — CID 144684401

IUPACN-(2-fluoro-4-methyl-6-propoxyphenyl)formamide
SMILESCCCOc1cc(C)cc(F)c1NC=O
InChIInChI=1S/C11H14FNO2/c1-3-4-15-10-6-8(2)5-9(12)11(10)13-7-14/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyMQFZMWOGCVRMJS-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.49
Rot. Bonds5

About N-(2-fluoro-4-methyl-6-propoxyphenyl)formamide

N-(2-fluoro-4-methyl-6-propoxyphenyl)formamide (PubChem CID 144684401) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is N-(2-fluoro-4-methyl-6-propoxyphenyl)formamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methyl-6-propoxyphenyl)formamide
PubChem CID144684401
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC NameN-(2-fluoro-4-methyl-6-propoxyphenyl)formamide
SMILESCCCOc1cc(C)cc(F)c1NC=O
InChIInChI=1S/C11H14FNO2/c1-3-4-15-10-6-8(2)5-9(12)11(10)13-7-14/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyMQFZMWOGCVRMJS-UHFFFAOYSA-N
XLogP2.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
2-fluoro-4-methoxy-5-propoxybenzaldehyde
CID 22145775
2-fluoro-4-methyl-1-propoxybenzene;2,2,2-trifluoroacetate
CID 54317082
1-ethoxy-3-fluoro-2,5-dimethylbenzene
CID 59933400
4-fluoro-2-propoxybenzaldehyde
CID 74889364
methyl 3-formamido-4-propoxybenzoate
CID 135191960
7-(2-fluoro-5-methyl-3-propoxyphenyl)-2-methylheptan-3-one
CID 166117840
2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde
CID 21252414
N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855008
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
N-(4-methyl-2-propoxyphenyl)methanesulfonamide
CID 61063067
2-fluoro-6-methoxy-4-methylbenzaldehyde
CID 74891129

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methyl-6-propoxyphenyl)formamide?
The IUPAC name of N-(2-fluoro-4-methyl-6-propoxyphenyl)formamide (CID 144684401) is N-(2-fluoro-4-methyl-6-propoxyphenyl)formamide.
What is the SMILES notation for N-(2-fluoro-4-methyl-6-propoxyphenyl)formamide?
The canonical SMILES for N-(2-fluoro-4-methyl-6-propoxyphenyl)formamide is CCCOc1cc(C)cc(F)c1NC=O.
What is the InChIKey of N-(2-fluoro-4-methyl-6-propoxyphenyl)formamide?
The InChIKey is MQFZMWOGCVRMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-3-4-15-10-6-8(2)5-9(12)11(10)13-7-14/h5-7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of N-(2-fluoro-4-methyl-6-propoxyphenyl)formamide?
N-(2-fluoro-4-methyl-6-propoxyphenyl)formamide has a molecular weight of 211.24 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methyl-6-propoxyphenyl)formamide is sourced from PubChem (CID 144684401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).