2-(1,3-benzodioxol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide

C16H14ClNO3 — CID 110851438

IUPAC2-(1,3-benzodioxol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide
SMILESO=C(Cc1cccc2c1OCO2)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO3/c17-13-6-4-11(5-7-13)9-18-15(19)8-12-2-1-3-14-16(12)21-10-20-14/h1-7H,8-10H2,(H,18,19)
InChIKeyYEBFHGANUPLYSK-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.93
Rot. Bonds4

About 2-(1,3-benzodioxol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide

2-(1,3-benzodioxol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 110851438) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID110851438
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-(1,3-benzodioxol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide
SMILESO=C(Cc1cccc2c1OCO2)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO3/c17-13-6-4-11(5-7-13)9-18-15(19)8-12-2-1-3-14-16(12)21-10-20-14/h1-7H,8-10H2,(H,18,19)
InChIKeyYEBFHGANUPLYSK-UHFFFAOYSA-N
XLogP2.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzodioxol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851878
2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride
CID 119298911
N-(1,3-benzodioxol-4-ylmethyl)-5-chloropentanamide
CID 61210400
N-(1,3-benzodioxol-4-ylmethyl)-4-hydroxybutanamide
CID 79192354
N'-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7769074
6-(1,3-benzodioxol-4-ylmethylamino)-6-oxohexanoic acid
CID 61211522
N-(1,3-benzodioxol-4-ylmethyl)-5-hydroxypentanamide
CID 79209486
N-(1,3-benzodioxol-4-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 61211918
2-[2-(1,3-benzodioxol-4-ylmethylamino)-2-oxoethoxy]acetic acid
CID 61327324
N-(1,3-benzodioxol-4-ylmethyl)-3-(chloromethyl)benzamide
CID 61210778
N-(1,3-benzodioxol-4-ylmethyl)-2,2-dimethylpropanamide
CID 61149994
N-(1,3-benzodioxol-4-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605263

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide (CID 110851438) is 2-(1,3-benzodioxol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide is O=C(Cc1cccc2c1OCO2)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is YEBFHGANUPLYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-13-6-4-11(5-7-13)9-18-15(19)8-12-2-1-3-14-16(12)21-10-20-14/h1-7H,8-10H2,(H,18,19).
What are the key properties of 2-(1,3-benzodioxol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide?
2-(1,3-benzodioxol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 303.75 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 110851438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).