4-fluoro-N,3-dimethylaniline;N-(4-propylphenyl)formamide

C18H23FN2O — CID 143225134

IUPAC4-fluoro-N,3-dimethylaniline;N-(4-propylphenyl)formamide
SMILESCCCc1ccc(NC=O)cc1.CNc1ccc(F)c(C)c1
InChIInChI=1S/C10H13NO.C8H10FN/c1-2-3-9-4-6-10(7-5-9)11-8-12;1-6-5-7(10-2)3-4-8(6)9/h4-8H,2-3H2,1H3,(H,11,12);3-5,10H,1-2H3
InChIKeySDNNAABQEXIYEZ-UHFFFAOYSA-N
MW302.39 g/mol
LogP4.38
Rot. Bonds5

About 4-fluoro-N,3-dimethylaniline;N-(4-propylphenyl)formamide

4-fluoro-N,3-dimethylaniline;N-(4-propylphenyl)formamide (PubChem CID 143225134) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is 4-fluoro-N,3-dimethylaniline;N-(4-propylphenyl)formamide.

Molecular Properties

Compound Name4-fluoro-N,3-dimethylaniline;N-(4-propylphenyl)formamide
PubChem CID143225134
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name4-fluoro-N,3-dimethylaniline;N-(4-propylphenyl)formamide
SMILESCCCc1ccc(NC=O)cc1.CNc1ccc(F)c(C)c1
InChIInChI=1S/C10H13NO.C8H10FN/c1-2-3-9-4-6-10(7-5-9)11-8-12;1-6-5-7(10-2)3-4-8(6)9/h4-8H,2-3H2,1H3,(H,11,12);3-5,10H,1-2H3
InChIKeySDNNAABQEXIYEZ-UHFFFAOYSA-N
XLogP4.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[(4-propylphenyl)methyl]aniline
CID 116926083
N-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 115165884
4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene
CID 55199662
1-(4-ethylphenyl)-3-(4-fluoro-3-methylanilino)prop-2-en-1-one
CID 3564341
[4-(methylamino)phenyl]-(4-propylphenyl)methanone
CID 116917420
1-ethyl-3-(4-fluoro-3-methylphenyl)thiourea
CID 115610649
N-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107028667
N-[4-(propoxymethyl)phenyl]formamide
CID 155742417
4-fluoro-3-methyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63050571
2-methyl-5-(methylamino)isoindole-1,3-dione;N-[4-(propoxymethyl)phenyl]formamide
CID 155742416
N-[3,5-bis(methylamino)phenyl]formamide
CID 158907123
3-(2-fluoro-5-formamidophenyl)-N-methylpropanamide
CID 143980499

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,3-dimethylaniline;N-(4-propylphenyl)formamide?
The IUPAC name of 4-fluoro-N,3-dimethylaniline;N-(4-propylphenyl)formamide (CID 143225134) is 4-fluoro-N,3-dimethylaniline;N-(4-propylphenyl)formamide.
What is the SMILES notation for 4-fluoro-N,3-dimethylaniline;N-(4-propylphenyl)formamide?
The canonical SMILES for 4-fluoro-N,3-dimethylaniline;N-(4-propylphenyl)formamide is CCCc1ccc(NC=O)cc1.CNc1ccc(F)c(C)c1.
What is the InChIKey of 4-fluoro-N,3-dimethylaniline;N-(4-propylphenyl)formamide?
The InChIKey is SDNNAABQEXIYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C8H10FN/c1-2-3-9-4-6-10(7-5-9)11-8-12;1-6-5-7(10-2)3-4-8(6)9/h4-8H,2-3H2,1H3,(H,11,12);3-5,10H,1-2H3.
What are the key properties of 4-fluoro-N,3-dimethylaniline;N-(4-propylphenyl)formamide?
4-fluoro-N,3-dimethylaniline;N-(4-propylphenyl)formamide has a molecular weight of 302.39 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,3-dimethylaniline;N-(4-propylphenyl)formamide is sourced from PubChem (CID 143225134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).