2-(4-acetamidophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide

C20H21ClN2O2 — CID 78806157

IUPAC2-(4-acetamidophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NC(c2ccc(Cl)cc2)C2CC2)cc1
InChIInChI=1S/C20H21ClN2O2/c1-13(24)22-18-10-2-14(3-11-18)12-19(25)23-20(15-4-5-15)16-6-8-17(21)9-7-16/h2-3,6-11,15,20H,4-5,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyDBIDIZORQQDVSI-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.11
Rot. Bonds6

About 2-(4-acetamidophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide

2-(4-acetamidophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide (PubChem CID 78806157) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
PubChem CID78806157
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name2-(4-acetamidophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NC(c2ccc(Cl)cc2)C2CC2)cc1
InChIInChI=1S/C20H21ClN2O2/c1-13(24)22-18-10-2-14(3-11-18)12-19(25)23-20(15-4-5-15)16-6-8-17(21)9-7-16/h2-3,6-11,15,20H,4-5,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyDBIDIZORQQDVSI-UHFFFAOYSA-N
XLogP4.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
CID 119689371
2-(4-acetamidophenyl)-N-[(1R)-1-(4-chlorophenyl)propyl]acetamide
CID 42138957
2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide
CID 110004204
3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
CID 119689399
3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 46691683
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 112999737
2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride
CID 119318615
2-(4-acetamidophenyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 134015095
2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 43709659
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]acetamide
CID 43337926
(4-acetamidophenyl) 2-(4-chlorophenyl)acetate
CID 4938737
2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide
CID 63822496

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide (CID 78806157) is 2-(4-acetamidophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide is CC(=O)Nc1ccc(CC(=O)NC(c2ccc(Cl)cc2)C2CC2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide?
The InChIKey is DBIDIZORQQDVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-13(24)22-18-10-2-14(3-11-18)12-19(25)23-20(15-4-5-15)16-6-8-17(21)9-7-16/h2-3,6-11,15,20H,4-5,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-(4-acetamidophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide?
2-(4-acetamidophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide has a molecular weight of 356.85 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide is sourced from PubChem (CID 78806157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).