2-chloro-N-(3-fluorophenyl)acetamide

C8H7ClFNO — CID 2388931

IUPAC2-chloro-N-(3-fluorophenyl)acetamide
SMILESO=C(CCl)Nc1cccc(F)c1
InChIInChI=1S/C8H7ClFNO/c9-5-8(12)11-7-3-1-2-6(10)4-7/h1-4H,5H2,(H,11,12)
InChIKeyBYGYGNMGANLDQP-UHFFFAOYSA-N
MW187.60 g/mol
LogP2.00
Rot. Bonds2

About 2-chloro-N-(3-fluorophenyl)acetamide

2-chloro-N-(3-fluorophenyl)acetamide (PubChem CID 2388931) has the molecular formula C8H7ClFNO and a molecular weight of 187.60 g/mol. Its IUPAC name is 2-chloro-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-fluorophenyl)acetamide
PubChem CID2388931
Molecular FormulaC8H7ClFNO
Molecular Weight187.60 g/mol
Exact Mass187.02
IUPAC Name2-chloro-N-(3-fluorophenyl)acetamide
SMILESO=C(CCl)Nc1cccc(F)c1
InChIInChI=1S/C8H7ClFNO/c9-5-8(12)11-7-3-1-2-6(10)4-7/h1-4H,5H2,(H,11,12)
InChIKeyBYGYGNMGANLDQP-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979
3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695
2-chloro-N-[4-(3-fluorophenoxy)phenyl]acetamide
CID 39379903
2-chloro-N-(3-iodophenyl)acetamide
CID 2342100
3-[[3-(3-fluoroanilino)-3-oxopropyl]disulfanyl]-N-(3-fluorophenyl)propanamide
CID 44817242
4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide
CID 11391010
3-[[3-(3-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 43466320
2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
N-ethyl-N'-(3-fluorophenyl)propanediamide
CID 67472700
3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
CID 62022676
3-chloropropyl N-(3-fluorophenyl)carbamate
CID 103970573
3-[(2-chloroacetyl)amino]benzoic acid;hydrochloride
CID 67825046

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-chloro-N-(3-fluorophenyl)acetamide (CID 2388931) is 2-chloro-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-chloro-N-(3-fluorophenyl)acetamide is O=C(CCl)Nc1cccc(F)c1.
What is the InChIKey of 2-chloro-N-(3-fluorophenyl)acetamide?
The InChIKey is BYGYGNMGANLDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO/c9-5-8(12)11-7-3-1-2-6(10)4-7/h1-4H,5H2,(H,11,12).
What are the key properties of 2-chloro-N-(3-fluorophenyl)acetamide?
2-chloro-N-(3-fluorophenyl)acetamide has a molecular weight of 187.60 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 2388931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).