N-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide

C14H18Cl2N2O — CID 79394410

IUPACN-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide
SMILESCC(NCCC(=O)NC1CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-9(12-8-10(15)2-5-13(12)16)17-7-6-14(19)18-11-3-4-11/h2,5,8-9,11,17H,3-4,6-7H2,1H3,(H,18,19)
InChIKeyCVUBPOLNWPYSCG-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.31
Rot. Bonds6

About N-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide

N-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide (PubChem CID 79394410) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide
PubChem CID79394410
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC NameN-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide
SMILESCC(NCCC(=O)NC1CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-9(12-8-10(15)2-5-13(12)16)17-7-6-14(19)18-11-3-4-11/h2,5,8-9,11,17H,3-4,6-7H2,1H3,(H,18,19)
InChIKeyCVUBPOLNWPYSCG-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide
CID 79394985
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide
CID 82773843
N-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide
CID 79394248
2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]-N-cyclopropylacetamide
CID 62074242
3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide
CID 55025461
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81358990
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide
CID 81378498
N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide
CID 78978000
N-cyclopropyl-3-[1-(4-ethoxyphenyl)ethylamino]propanamide
CID 79394735
N-cyclopropyl-4-[1-(2,4-dibromophenyl)ethylamino]butanamide
CID 79394511
4-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]-N-cyclopropylbutanamide
CID 111066175
(2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082097

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide (CID 79394410) is N-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide is CC(NCCC(=O)NC1CC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide?
The InChIKey is CVUBPOLNWPYSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-9(12-8-10(15)2-5-13(12)16)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 N-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide?
N-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide has a molecular weight of 301.22 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide is sourced from PubChem (CID 79394410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).