3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide

C14H18ClFN2O — CID 79394985

IUPAC3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide
SMILESCC(NCCC(=O)NC1CC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H18ClFN2O/c1-9(10-2-5-13(16)12(15)8-10)17-7-6-14(19)18-11-3-4-11/h2,5,8-9,11,17H,3-4,6-7H2,1H3,(H,18,19)
InChIKeyBMJDHGHASWEUOF-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.80
Rot. Bonds6

About 3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide

3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide (PubChem CID 79394985) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is 3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide
PubChem CID79394985
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide
SMILESCC(NCCC(=O)NC1CC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H18ClFN2O/c1-9(10-2-5-13(16)12(15)8-10)17-7-6-14(19)18-11-3-4-11/h2,5,8-9,11,17H,3-4,6-7H2,1H3,(H,18,19)
InChIKeyBMJDHGHASWEUOF-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide
CID 79394410
methyl 3-[1-(3-chloro-4-fluorophenyl)ethylamino]propanoate
CID 43139693
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81358990
N-cyclopropyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propanamide
CID 79380363
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide
CID 82773843
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-cyclopropylpropan-1-amine
CID 115638957
N-cyclopropyl-3-[1-(4-ethoxyphenyl)ethylamino]propanamide
CID 79394735
N-cyclopropyl-3-[1-(3-nitrophenyl)ethylamino]propanamide
CID 79139425
N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide
CID 107706794
1-[1-(3-chloro-4-fluorophenyl)ethylamino]pentan-3-ol
CID 113262788
methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate
CID 43200173
1-(3-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]ethanamine
CID 114095532

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide (CID 79394985) is 3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide is CC(NCCC(=O)NC1CC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide?
The InChIKey is BMJDHGHASWEUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-9(10-2-5-13(16)12(15)8-10)17-7-6-14(19)18-11-3-4-11/h2,5,8-9,11,17H,3-4,6-7H2,1H3,(H,18,19).
What are the key properties of 3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide?
3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide has a molecular weight of 284.76 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 79394985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).