N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide

C17H19ClN2O — CID 43720632

IUPACN-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O/c1-3-17(21)20-16-10-8-15(9-11-16)19-12(2)13-4-6-14(18)7-5-13/h4-12,19H,3H2,1-2H3,(H,20,21)
InChIKeyBHENUTGQVKYSLY-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.86
Rot. Bonds5

About N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide

N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide (PubChem CID 43720632) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide
PubChem CID43720632
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O/c1-3-17(21)20-16-10-8-15(9-11-16)19-12(2)13-4-6-14(18)7-5-13/h4-12,19H,3H2,1-2H3,(H,20,21)
InChIKeyBHENUTGQVKYSLY-UHFFFAOYSA-N
XLogP4.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
N-[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]propanamide
CID 154832906
3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46436900
N-[4-(propan-2-ylamino)phenyl]propanamide
CID 43720685
4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43098857
N-(4-acetylphenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336102
N-[4-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]propanamide;hydrochloride
CID 47030478
6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide
CID 51136210
3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide
CID 46468381
N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide
CID 43720633

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide?
The IUPAC name of N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide (CID 43720632) is N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide.
What is the SMILES notation for N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide?
The canonical SMILES for N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide is CCC(=O)Nc1ccc(NC(C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide?
The InChIKey is BHENUTGQVKYSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-17(21)20-16-10-8-15(9-11-16)19-12(2)13-4-6-14(18)7-5-13/h4-12,19H,3H2,1-2H3,(H,20,21).
What are the key properties of N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide?
N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide has a molecular weight of 302.81 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide is sourced from PubChem (CID 43720632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).