N-(2,4-dimethylphenyl)carbamoyl fluoride

C9H10FNO — CID 88833294

IUPACN-(2,4-dimethylphenyl)carbamoyl fluoride
SMILESCc1ccc(NC(=O)F)c(C)c1
InChIInChI=1S/C9H10FNO/c1-6-3-4-8(7(2)5-6)11-9(10)12/h3-5H,1-2H3,(H,11,12)
InChIKeyNDXSJQOFSXDTQE-UHFFFAOYSA-N
MW167.18 g/mol
LogP2.80
Rot. Bonds1

About N-(2,4-dimethylphenyl)carbamoyl fluoride

N-(2,4-dimethylphenyl)carbamoyl fluoride (PubChem CID 88833294) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)carbamoyl fluoride.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)carbamoyl fluoride
PubChem CID88833294
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC NameN-(2,4-dimethylphenyl)carbamoyl fluoride
SMILESCc1ccc(NC(=O)F)c(C)c1
InChIInChI=1S/C9H10FNO/c1-6-3-4-8(7(2)5-6)11-9(10)12/h3-5H,1-2H3,(H,11,12)
InChIKeyNDXSJQOFSXDTQE-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
CID 108991303
N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide
CID 90975910
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
N'-(2,4-difluorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 44998488
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100979
N-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide
CID 86134695
S-propan-2-yl N-(2,4-dimethylphenyl)carbamothioate
CID 4606639
1-(2,4-dimethylphenyl)-3-prop-2-ynylurea
CID 97180603
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)carbamoyl fluoride?
The IUPAC name of N-(2,4-dimethylphenyl)carbamoyl fluoride (CID 88833294) is N-(2,4-dimethylphenyl)carbamoyl fluoride.
What is the SMILES notation for N-(2,4-dimethylphenyl)carbamoyl fluoride?
The canonical SMILES for N-(2,4-dimethylphenyl)carbamoyl fluoride is Cc1ccc(NC(=O)F)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)carbamoyl fluoride?
The InChIKey is NDXSJQOFSXDTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-6-3-4-8(7(2)5-6)11-9(10)12/h3-5H,1-2H3,(H,11,12).
What are the key properties of N-(2,4-dimethylphenyl)carbamoyl fluoride?
N-(2,4-dimethylphenyl)carbamoyl fluoride has a molecular weight of 167.18 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)carbamoyl fluoride is sourced from PubChem (CID 88833294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).