N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide

C18H21ClN2O — CID 112984106

IUPACN-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O/c1-2-3-18(22)21-17-10-8-16(9-11-17)20-13-12-14-4-6-15(19)7-5-14/h4-11,20H,2-3,12-13H2,1H3,(H,21,22)
InChIKeyIGYZIVROUCEWSV-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.73
Rot. Bonds7

About N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide

N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide (PubChem CID 112984106) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide
PubChem CID112984106
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O/c1-2-3-18(22)21-17-10-8-16(9-11-17)20-13-12-14-4-6-15(19)7-5-14/h4-11,20H,2-3,12-13H2,1H3,(H,21,22)
InChIKeyIGYZIVROUCEWSV-UHFFFAOYSA-N
XLogP4.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate
CID 112984125
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027936
2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethylphenyl)acetamide
CID 109002843
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide
CID 112984120
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
ethyl 4-[2-(4-chlorophenyl)ethylamino]benzoate
CID 20516641
N-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 17257472
3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide
CID 109028071
N-(4-bromophenyl)-3-(4-chloroanilino)propanamide
CID 109038187
N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795313

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide?
The IUPAC name of N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide (CID 112984106) is N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide?
The canonical SMILES for N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide is CCCC(=O)Nc1ccc(NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide?
The InChIKey is IGYZIVROUCEWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-2-3-18(22)21-17-10-8-16(9-11-17)20-13-12-14-4-6-15(19)7-5-14/h4-11,20H,2-3,12-13H2,1H3,(H,21,22).
What are the key properties of N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide?
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide has a molecular weight of 316.83 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide is sourced from PubChem (CID 112984106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).