2-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]butanamide

C17H19ClN2O2 — CID 22421255

IUPAC2-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]butanamide
SMILESNC(=O)C(N)CCc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H19ClN2O2/c18-14-3-1-2-13(10-14)11-22-15-7-4-12(5-8-15)6-9-16(19)17(20)21/h1-5,7-8,10,16H,6,9,11,19H2,(H2,20,21)
InChIKeyWKFRATOBHJEQKR-UHFFFAOYSA-N
MW318.80 g/mol
LogP2.66
Rot. Bonds7

About 2-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]butanamide

2-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]butanamide (PubChem CID 22421255) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]butanamide.

Molecular Properties

Compound Name2-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]butanamide
PubChem CID22421255
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]butanamide
SMILESNC(=O)C(N)CCc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H19ClN2O2/c18-14-3-1-2-13(10-14)11-22-15-7-4-12(5-8-15)6-9-16(19)17(20)21/h1-5,7-8,10,16H,6,9,11,19H2,(H2,20,21)
InChIKeyWKFRATOBHJEQKR-UHFFFAOYSA-N
XLogP2.66
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]butanamide?
The IUPAC name of 2-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]butanamide (CID 22421255) is 2-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]butanamide.
What is the SMILES notation for 2-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]butanamide?
The canonical SMILES for 2-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]butanamide is NC(=O)C(N)CCc1ccc(OCc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]butanamide?
The InChIKey is WKFRATOBHJEQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c18-14-3-1-2-13(10-14)11-22-15-7-4-12(5-8-15)6-9-16(19)17(20)21/h1-5,7-8,10,16H,6,9,11,19H2,(H2,20,21).
What are the key properties of 2-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]butanamide?
2-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]butanamide has a molecular weight of 318.80 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]butanamide is sourced from PubChem (CID 22421255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).