2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide

C14H21ClN2O — CID 43403065

IUPAC2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(CC)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-3-9-16-14(18)10-17-13(4-2)11-5-7-12(15)8-6-11/h5-8,13,17H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyRNXKHZAEUMAWKB-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.91
Rot. Bonds7

About 2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide

2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide (PubChem CID 43403065) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide
PubChem CID43403065
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(CC)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-3-9-16-14(18)10-17-13(4-2)11-5-7-12(15)8-6-11/h5-8,13,17H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyRNXKHZAEUMAWKB-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-chlorophenyl)propylamino]-N-[(3,5-difluorophenyl)methyl]acetamide
CID 112841221
N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354492
3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide
CID 42971295
3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 112684495
N-(2-methoxyethyl)-2-(1-phenylpropylamino)acetamide
CID 54845797
(2S,3S)-2-[[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122100106
N-(2-bromo-4,6-difluorophenyl)-2-[1-(4-chlorophenyl)propylamino]acetamide
CID 112809099
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(3-phenylpropyl)acetamide
CID 9263745
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide
CID 9263412
(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol
CID 103906772
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(4-chloro-2-fluorophenyl)acetamide
CID 9263707
1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol
CID 65108429

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide (CID 43403065) is 2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide is CCCNC(=O)CNC(CC)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide?
The InChIKey is RNXKHZAEUMAWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-9-16-14(18)10-17-13(4-2)11-5-7-12(15)8-6-11/h5-8,13,17H,3-4,9-10H2,1-2H3,(H,16,18).
What are the key properties of 2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide?
2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide has a molecular weight of 268.79 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide is sourced from PubChem (CID 43403065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).