N-[2-chloro-5-(propanoylamino)phenyl]-2-phenoxybenzamide

C22H19ClN2O3 — CID 55799168

IUPACN-[2-chloro-5-(propanoylamino)phenyl]-2-phenoxybenzamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C22H19ClN2O3/c1-2-21(26)24-15-12-13-18(23)19(14-15)25-22(27)17-10-6-7-11-20(17)28-16-8-4-3-5-9-16/h3-14H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyBADJQTNIFYYMTI-UHFFFAOYSA-N
MW394.86 g/mol
LogP5.73
Rot. Bonds6

About N-[2-chloro-5-(propanoylamino)phenyl]-2-phenoxybenzamide

N-[2-chloro-5-(propanoylamino)phenyl]-2-phenoxybenzamide (PubChem CID 55799168) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-[2-chloro-5-(propanoylamino)phenyl]-2-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(propanoylamino)phenyl]-2-phenoxybenzamide
PubChem CID55799168
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC NameN-[2-chloro-5-(propanoylamino)phenyl]-2-phenoxybenzamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C22H19ClN2O3/c1-2-21(26)24-15-12-13-18(23)19(14-15)25-22(27)17-10-6-7-11-20(17)28-16-8-4-3-5-9-16/h3-14H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyBADJQTNIFYYMTI-UHFFFAOYSA-N
XLogP5.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.86
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide
CID 960096
N-[2-chloro-5-(propanoylamino)phenyl]-2-nitrobenzamide
CID 895181
N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide
CID 171686511
4-bromo-N-[2-chloro-5-(propanoylamino)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 1255864
N-(3-chloro-4-cyanophenyl)-2-phenoxybenzamide
CID 1150855
N-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide
CID 55799104
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
N-(3-acetamidophenyl)-2-phenoxybenzamide
CID 3402859
2-phenoxy-N-phenylbenzamide
CID 3402306
3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide
CID 17117679
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide
CID 2995153
N-(3,4-difluorophenyl)-2-phenoxybenzamide
CID 3402318

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-2-phenoxybenzamide?
The IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-2-phenoxybenzamide (CID 55799168) is N-[2-chloro-5-(propanoylamino)phenyl]-2-phenoxybenzamide.
What is the SMILES notation for N-[2-chloro-5-(propanoylamino)phenyl]-2-phenoxybenzamide?
The canonical SMILES for N-[2-chloro-5-(propanoylamino)phenyl]-2-phenoxybenzamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2Oc2ccccc2)c1.
What is the InChIKey of N-[2-chloro-5-(propanoylamino)phenyl]-2-phenoxybenzamide?
The InChIKey is BADJQTNIFYYMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-2-21(26)24-15-12-13-18(23)19(14-15)25-22(27)17-10-6-7-11-20(17)28-16-8-4-3-5-9-16/h3-14H,2H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-chloro-5-(propanoylamino)phenyl]-2-phenoxybenzamide?
N-[2-chloro-5-(propanoylamino)phenyl]-2-phenoxybenzamide has a molecular weight of 394.86 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(propanoylamino)phenyl]-2-phenoxybenzamide is sourced from PubChem (CID 55799168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).