N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide

C12H14ClFN2O — CID 54920451

IUPACN-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide
SMILESO=C(CCNC1CC1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C12H14ClFN2O/c13-10-7-8(14)1-4-11(10)16-12(17)5-6-15-9-2-3-9/h1,4,7,9,15H,2-3,5-6H2,(H,16,17)
InChIKeyUCXJLSAIXIUDHO-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.56
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide

N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide (PubChem CID 54920451) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide
PubChem CID54920451
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC NameN-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide
SMILESO=C(CCNC1CC1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C12H14ClFN2O/c13-10-7-8(14)1-4-11(10)16-12(17)5-6-15-9-2-3-9/h1,4,7,9,15H,2-3,5-6H2,(H,16,17)
InChIKeyUCXJLSAIXIUDHO-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide
CID 60722944
methyl 2-[3-(cyclopropylamino)propanoylamino]-5-fluorobenzoate
CID 60867845
N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 60852332
N-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetamide
CID 103843641
3-(cyclopentylamino)-N-(2,5-dichlorophenyl)propanamide
CID 109013761
3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109013773
2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55753021
N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106029188
3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide
CID 62813705
3,5-dichloro-4-[3-(cyclopropylamino)propanoylamino]benzoic acid
CID 82830785
N-(2-chloro-4-fluorophenyl)-2-piperidin-3-ylacetamide
CID 62676653
4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide
CID 26364301

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide (CID 54920451) is N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide is O=C(CCNC1CC1)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide?
The InChIKey is UCXJLSAIXIUDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-10-7-8(14)1-4-11(10)16-12(17)5-6-15-9-2-3-9/h1,4,7,9,15H,2-3,5-6H2,(H,16,17).
What are the key properties of N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide?
N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide has a molecular weight of 256.71 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide is sourced from PubChem (CID 54920451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).