N-(4-chlorophenyl)-3-(diethylamino)propanamide

C13H19ClN2O — CID 109030730

IUPACN-(4-chlorophenyl)-3-(diethylamino)propanamide
SMILESCCN(CC)CCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-3-16(4-2)10-9-13(17)15-12-7-5-11(14)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyRQWBKCLDFGJJFM-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.01
Rot. Bonds6

About N-(4-chlorophenyl)-3-(diethylamino)propanamide

N-(4-chlorophenyl)-3-(diethylamino)propanamide (PubChem CID 109030730) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(diethylamino)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(diethylamino)propanamide
PubChem CID109030730
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(4-chlorophenyl)-3-(diethylamino)propanamide
SMILESCCN(CC)CCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-3-16(4-2)10-9-13(17)15-12-7-5-11(14)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyRQWBKCLDFGJJFM-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-3-(dipropylamino)propanamide
CID 109033132
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide
CID 109021668
N-[4-[3-(diethylamino)propanoylamino]phenyl]-4-methylbenzamide
CID 50955133
3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide
CID 113116226
N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride
CID 3066358
3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
CID 882844
(2R)-4-(4-chloroanilino)-2-[2-(diethylamino)ethylamino]-4-oxobutanoic acid
CID 7166042
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-(4-chlorophenyl)-3-ethoxypropanamide
CID 2972757
3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide
CID 113127435
3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide
CID 24588858

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(diethylamino)propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-(diethylamino)propanamide (CID 109030730) is N-(4-chlorophenyl)-3-(diethylamino)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(diethylamino)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(diethylamino)propanamide is CCN(CC)CCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(diethylamino)propanamide?
The InChIKey is RQWBKCLDFGJJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-16(4-2)10-9-13(17)15-12-7-5-11(14)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-(4-chlorophenyl)-3-(diethylamino)propanamide?
N-(4-chlorophenyl)-3-(diethylamino)propanamide has a molecular weight of 254.76 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(diethylamino)propanamide is sourced from PubChem (CID 109030730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).