N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-chlorobenzamide

C20H21ClN2O3 — CID 113094193

IUPACN-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-chlorobenzamide
SMILESCC(=O)N(c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C1CCOCC1
InChIInChI=1S/C20H21ClN2O3/c1-14(24)23(19-10-12-26-13-11-19)18-8-6-17(7-9-18)22-20(25)15-2-4-16(21)5-3-15/h2-9,19H,10-13H2,1H3,(H,22,25)
InChIKeyPHZAIAWNMKZGNW-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.12
Rot. Bonds4

About N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-chlorobenzamide

N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-chlorobenzamide (PubChem CID 113094193) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-chlorobenzamide
PubChem CID113094193
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC NameN-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-chlorobenzamide
SMILESCC(=O)N(c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C1CCOCC1
InChIInChI=1S/C20H21ClN2O3/c1-14(24)23(19-10-12-26-13-11-19)18-8-6-17(7-9-18)22-20(25)15-2-4-16(21)5-3-15/h2-9,19H,10-13H2,1H3,(H,22,25)
InChIKeyPHZAIAWNMKZGNW-UHFFFAOYSA-N
XLogP4.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide
CID 113094075
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide
CID 113094170
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide
CID 113094199
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methoxybenzamide
CID 113094176
N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 113094206
N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide
CID 113094214
N-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide
CID 113094156
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride
CID 120789553
N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide
CID 113095234
N-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide
CID 113094048
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide
CID 113095241

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-chlorobenzamide?
The IUPAC name of N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-chlorobenzamide (CID 113094193) is N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-chlorobenzamide.
What is the SMILES notation for N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-chlorobenzamide?
The canonical SMILES for N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-chlorobenzamide is CC(=O)N(c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C1CCOCC1.
What is the InChIKey of N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-chlorobenzamide?
The InChIKey is PHZAIAWNMKZGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-14(24)23(19-10-12-26-13-11-19)18-8-6-17(7-9-18)22-20(25)15-2-4-16(21)5-3-15/h2-9,19H,10-13H2,1H3,(H,22,25).
What are the key properties of N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-chlorobenzamide?
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-chlorobenzamide has a molecular weight of 372.85 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-chlorobenzamide is sourced from PubChem (CID 113094193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).