N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide

C18H18ClN3O3 — CID 112763253

IUPACN-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
SMILESCC(=O)Nc1cccc(NC(=O)C(C)NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H18ClN3O3/c1-11(20-18(25)13-6-8-14(19)9-7-13)17(24)22-16-5-3-4-15(10-16)21-12(2)23/h3-11H,1-2H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyWETQZCACDZPBKX-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.06
Rot. Bonds5

About N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide

N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide (PubChem CID 112763253) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
PubChem CID112763253
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
SMILESCC(=O)Nc1cccc(NC(=O)C(C)NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H18ClN3O3/c1-11(20-18(25)13-6-8-14(19)9-7-13)17(24)22-16-5-3-4-15(10-16)21-12(2)23/h3-11H,1-2H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyWETQZCACDZPBKX-UHFFFAOYSA-N
XLogP3.06
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide
CID 112767596
N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 46744916
N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
CID 55335522
4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide
CID 51147091
[1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]propanoate
CID 24687676
2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide
CID 55852819
[(2R)-1-anilino-1-oxopropan-2-yl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7563942
4-chloro-N-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]anilino]-1-oxopropan-2-yl]benzamide
CID 86901739
N-[1-[1-(3-acetamidophenyl)ethylamino]-1-oxopropan-2-yl]-4-tert-butylbenzamide
CID 46598585
4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46744939
N-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide
CID 42960816
N-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 51606082

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide?
The IUPAC name of N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide (CID 112763253) is N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide?
The canonical SMILES for N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide is CC(=O)Nc1cccc(NC(=O)C(C)NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide?
The InChIKey is WETQZCACDZPBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-11(20-18(25)13-6-8-14(19)9-7-13)17(24)22-16-5-3-4-15(10-16)21-12(2)23/h3-11H,1-2H3,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide?
N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide has a molecular weight of 359.81 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide is sourced from PubChem (CID 112763253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).