2-(3-chloro-2-fluoroanilino)-N-phenylacetamide

C14H12ClFN2O — CID 42070736

IUPAC2-(3-chloro-2-fluoroanilino)-N-phenylacetamide
SMILESO=C(CNc1cccc(Cl)c1F)Nc1ccccc1
InChIInChI=1S/C14H12ClFN2O/c15-11-7-4-8-12(14(11)16)17-9-13(19)18-10-5-2-1-3-6-10/h1-8,17H,9H2,(H,18,19)
InChIKeyDRRUWCHXMXXKAP-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.53
Rot. Bonds4

About 2-(3-chloro-2-fluoroanilino)-N-phenylacetamide

2-(3-chloro-2-fluoroanilino)-N-phenylacetamide (PubChem CID 42070736) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-(3-chloro-2-fluoroanilino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-chloro-2-fluoroanilino)-N-phenylacetamide
PubChem CID42070736
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name2-(3-chloro-2-fluoroanilino)-N-phenylacetamide
SMILESO=C(CNc1cccc(Cl)c1F)Nc1ccccc1
InChIInChI=1S/C14H12ClFN2O/c15-11-7-4-8-12(14(11)16)17-9-13(19)18-10-5-2-1-3-6-10/h1-8,17H,9H2,(H,18,19)
InChIKeyDRRUWCHXMXXKAP-UHFFFAOYSA-N
XLogP3.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluoroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 43408733
4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
CID 51254446
N-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide
CID 28879721
N-(3-chlorophenyl)-2-(2,3-difluoroanilino)acetamide
CID 47336969
2-(naphthalen-1-ylamino)-N-phenylacetamide
CID 9082358
N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54816111
N-(4-chlorophenyl)-2-(2,3-dichloroanilino)acetamide
CID 29039257
N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]propanamide
CID 54810223
2-(2-chloroanilino)-N-(4-phenoxyphenyl)acetamide
CID 54810461
2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 33164412
2-(2-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54810505
N-phenyl-2-(2,3,5-trifluoroanilino)acetamide
CID 62810251

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluoroanilino)-N-phenylacetamide?
The IUPAC name of 2-(3-chloro-2-fluoroanilino)-N-phenylacetamide (CID 42070736) is 2-(3-chloro-2-fluoroanilino)-N-phenylacetamide.
What is the SMILES notation for 2-(3-chloro-2-fluoroanilino)-N-phenylacetamide?
The canonical SMILES for 2-(3-chloro-2-fluoroanilino)-N-phenylacetamide is O=C(CNc1cccc(Cl)c1F)Nc1ccccc1.
What is the InChIKey of 2-(3-chloro-2-fluoroanilino)-N-phenylacetamide?
The InChIKey is DRRUWCHXMXXKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-11-7-4-8-12(14(11)16)17-9-13(19)18-10-5-2-1-3-6-10/h1-8,17H,9H2,(H,18,19).
What are the key properties of 2-(3-chloro-2-fluoroanilino)-N-phenylacetamide?
2-(3-chloro-2-fluoroanilino)-N-phenylacetamide has a molecular weight of 278.71 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluoroanilino)-N-phenylacetamide is sourced from PubChem (CID 42070736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).