3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide

C13H18ClFN2O — CID 109030627

IUPAC3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H18ClFN2O/c1-3-17(4-2)13(18)7-8-16-10-5-6-12(15)11(14)9-10/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyATFCISDKFMRQAP-UHFFFAOYSA-N
MW272.75 g/mol
LogP3.15
Rot. Bonds6

About 3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide

3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide (PubChem CID 109030627) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide
PubChem CID109030627
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H18ClFN2O/c1-3-17(4-2)13(18)7-8-16-10-5-6-12(15)11(14)9-10/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyATFCISDKFMRQAP-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dichloroanilino)-N,N-dipropylpropanamide
CID 109033088
3-(3,4-diaminoanilino)-N,N-diethylpropanamide
CID 106751126
3-(3,4-difluoroanilino)-N,N-dipropylpropanamide
CID 109033102
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
CID 109038816
3-[(3-chloro-4-fluorophenyl)carbamoyl-ethylamino]propanoic acid
CID 61194987
3-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109038822
3-(4-cyanoanilino)-N,N-diethylpropanamide
CID 54936059
3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038862
3-(4-chloroanilino)-N,N-dimethylpropanamide
CID 60960793
N,N-diethyl-3-(4-nitroanilino)propanamide
CID 60925954
methyl 3-[[3-(diethylamino)-3-oxopropyl]amino]benzoate
CID 109030650
3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N,N-diethylpropanamide
CID 60925290

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide?
The IUPAC name of 3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide (CID 109030627) is 3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide.
What is the SMILES notation for 3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide?
The canonical SMILES for 3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide is CCN(CC)C(=O)CCNc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide?
The InChIKey is ATFCISDKFMRQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-3-17(4-2)13(18)7-8-16-10-5-6-12(15)11(14)9-10/h5-6,9,16H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide?
3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide has a molecular weight of 272.75 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide is sourced from PubChem (CID 109030627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).