N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide

C18H19ClN2O2 — CID 2995153

IUPACN-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(CC)cc2)c1
InChIInChI=1S/C18H19ClN2O2/c1-3-12-5-7-13(8-6-12)18(23)21-16-11-14(9-10-15(16)19)20-17(22)4-2/h5-11H,3-4H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGHACVPAUENTQMO-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.50
Rot. Bonds5

About N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide

N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide (PubChem CID 2995153) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide
PubChem CID2995153
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(CC)cc2)c1
InChIInChI=1S/C18H19ClN2O2/c1-3-12-5-7-13(8-6-12)18(23)21-16-11-14(9-10-15(16)19)20-17(22)4-2/h5-11H,3-4H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGHACVPAUENTQMO-UHFFFAOYSA-N
XLogP4.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide
CID 1313538
N-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide
CID 55799104
N-[2-chloro-5-(propanoylamino)phenyl]-3,5-dinitrobenzamide
CID 55799201
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethoxy-3-methoxybenzamide
CID 55799038
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-chloro-5-(propanoylamino)phenyl]benzamide
CID 55799423
N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
CID 17102145
N-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide
CID 82034457
N-[2-chloro-5-(propanoylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 55799419
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
N-(4-amino-2,5-dichlorophenyl)-4-ethylbenzamide
CID 50881110
N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
CID 2984948
N-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide
CID 43679042

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide?
The IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide (CID 2995153) is N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide.
What is the SMILES notation for N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide?
The canonical SMILES for N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(CC)cc2)c1.
What is the InChIKey of N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide?
The InChIKey is GHACVPAUENTQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-3-12-5-7-13(8-6-12)18(23)21-16-11-14(9-10-15(16)19)20-17(22)4-2/h5-11H,3-4H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide?
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide has a molecular weight of 330.82 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide is sourced from PubChem (CID 2995153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).