N-(2-chloro-4-fluoro-3-methylphenyl)formamide

C8H7ClFNO — CID 168651882

IUPACN-(2-chloro-4-fluoro-3-methylphenyl)formamide
SMILESCc1c(F)ccc(NC=O)c1Cl
InChIInChI=1S/C8H7ClFNO/c1-5-6(10)2-3-7(8(5)9)11-4-12/h2-4H,1H3,(H,11,12)
InChIKeyYONDJAGBBKBBMJ-UHFFFAOYSA-N
MW187.60 g/mol
LogP2.36
Rot. Bonds2

About N-(2-chloro-4-fluoro-3-methylphenyl)formamide

N-(2-chloro-4-fluoro-3-methylphenyl)formamide (PubChem CID 168651882) has the molecular formula C8H7ClFNO and a molecular weight of 187.60 g/mol. Its IUPAC name is N-(2-chloro-4-fluoro-3-methylphenyl)formamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluoro-3-methylphenyl)formamide
PubChem CID168651882
Molecular FormulaC8H7ClFNO
Molecular Weight187.60 g/mol
Exact Mass187.02
IUPAC NameN-(2-chloro-4-fluoro-3-methylphenyl)formamide
SMILESCc1c(F)ccc(NC=O)c1Cl
InChIInChI=1S/C8H7ClFNO/c1-5-6(10)2-3-7(8(5)9)11-4-12/h2-4H,1H3,(H,11,12)
InChIKeyYONDJAGBBKBBMJ-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.60
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-iodo-3-methylphenyl)formamide
CID 168653017
N-(3-fluoro-2-methylphenyl)formamide
CID 45090567
N-(3-fluoro-2,4-dimethylphenyl)formamide
CID 168652075
N-(3-chloro-2-methyl-4-nitrophenyl)formamide
CID 168654498
N-(4-fluoro-2-methylphenyl)formamide
CID 64992173
N-(2-chloro-3,5-difluorophenyl)formamide
CID 168651358
1-chloro-3-(2-chloro-4-fluoro-3-methylanilino)propan-2-ol
CID 168640198
3-(2-chloro-4-fluoro-3-methylanilino)propane-1,2-diol
CID 168594510
N-(2,6-difluoro-3-formamidophenyl)acetamide
CID 168651959
2-chloro-4-fluoro-3-methylaniline
CID 13251510
1-bromo-2-chloro-4-fluoro-3-methylbenzene
CID 2736227
N-(2,4-dichloro-3-ethoxyphenyl)formamide
CID 118874942

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluoro-3-methylphenyl)formamide?
The IUPAC name of N-(2-chloro-4-fluoro-3-methylphenyl)formamide (CID 168651882) is N-(2-chloro-4-fluoro-3-methylphenyl)formamide.
What is the SMILES notation for N-(2-chloro-4-fluoro-3-methylphenyl)formamide?
The canonical SMILES for N-(2-chloro-4-fluoro-3-methylphenyl)formamide is Cc1c(F)ccc(NC=O)c1Cl.
What is the InChIKey of N-(2-chloro-4-fluoro-3-methylphenyl)formamide?
The InChIKey is YONDJAGBBKBBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO/c1-5-6(10)2-3-7(8(5)9)11-4-12/h2-4H,1H3,(H,11,12).
What are the key properties of N-(2-chloro-4-fluoro-3-methylphenyl)formamide?
N-(2-chloro-4-fluoro-3-methylphenyl)formamide has a molecular weight of 187.60 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluoro-3-methylphenyl)formamide is sourced from PubChem (CID 168651882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).