3-[1-(4-chlorophenyl)ethoxy]-N-propylbenzamide

C18H20ClNO2 — CID 86114741

IUPAC3-[1-(4-chlorophenyl)ethoxy]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(OC(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClNO2/c1-3-11-20-18(21)15-5-4-6-17(12-15)22-13(2)14-7-9-16(19)10-8-14/h4-10,12-13H,3,11H2,1-2H3,(H,20,21)
InChIKeyNCKFYZRFFGTRGV-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.62
Rot. Bonds6

About 3-[1-(4-chlorophenyl)ethoxy]-N-propylbenzamide

3-[1-(4-chlorophenyl)ethoxy]-N-propylbenzamide (PubChem CID 86114741) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)ethoxy]-N-propylbenzamide.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)ethoxy]-N-propylbenzamide
PubChem CID86114741
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name3-[1-(4-chlorophenyl)ethoxy]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(OC(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClNO2/c1-3-11-20-18(21)15-5-4-6-17(12-15)22-13(2)14-7-9-16(19)10-8-14/h4-10,12-13H,3,11H2,1-2H3,(H,20,21)
InChIKeyNCKFYZRFFGTRGV-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide
CID 86031288
3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222714
3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide
CID 17150561
3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide
CID 40614005
N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide
CID 2092118
[3-[1-(4-chlorophenyl)ethoxy]phenyl]-piperidin-1-ylmethanone
CID 86114774
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108571437
3-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 17133083
N-(3-chlorobutyl)-3-propoxybenzamide
CID 114301736
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)ethoxy]-N-propylbenzamide?
The IUPAC name of 3-[1-(4-chlorophenyl)ethoxy]-N-propylbenzamide (CID 86114741) is 3-[1-(4-chlorophenyl)ethoxy]-N-propylbenzamide.
What is the SMILES notation for 3-[1-(4-chlorophenyl)ethoxy]-N-propylbenzamide?
The canonical SMILES for 3-[1-(4-chlorophenyl)ethoxy]-N-propylbenzamide is CCCNC(=O)c1cccc(OC(C)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[1-(4-chlorophenyl)ethoxy]-N-propylbenzamide?
The InChIKey is NCKFYZRFFGTRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-3-11-20-18(21)15-5-4-6-17(12-15)22-13(2)14-7-9-16(19)10-8-14/h4-10,12-13H,3,11H2,1-2H3,(H,20,21).
What are the key properties of 3-[1-(4-chlorophenyl)ethoxy]-N-propylbenzamide?
3-[1-(4-chlorophenyl)ethoxy]-N-propylbenzamide has a molecular weight of 317.82 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)ethoxy]-N-propylbenzamide is sourced from PubChem (CID 86114741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).