N-[3-(4-acetylanilino)-3-oxopropyl]-2-chlorobenzamide

C18H17ClN2O3 — CID 2492016

IUPACN-[3-(4-acetylanilino)-3-oxopropyl]-2-chlorobenzamide
SMILESCC(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H17ClN2O3/c1-12(22)13-6-8-14(9-7-13)21-17(23)10-11-20-18(24)15-4-2-3-5-16(15)19/h2-9H,10-11H2,1H3,(H,20,24)(H,21,23)
InChIKeyAHQSWIFOMNNIME-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.30
Rot. Bonds6

About N-[3-(4-acetylanilino)-3-oxopropyl]-2-chlorobenzamide

N-[3-(4-acetylanilino)-3-oxopropyl]-2-chlorobenzamide (PubChem CID 2492016) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[3-(4-acetylanilino)-3-oxopropyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[3-(4-acetylanilino)-3-oxopropyl]-2-chlorobenzamide
PubChem CID2492016
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-[3-(4-acetylanilino)-3-oxopropyl]-2-chlorobenzamide
SMILESCC(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H17ClN2O3/c1-12(22)13-6-8-14(9-7-13)21-17(23)10-11-20-18(24)15-4-2-3-5-16(15)19/h2-9H,10-11H2,1H3,(H,20,24)(H,21,23)
InChIKeyAHQSWIFOMNNIME-UHFFFAOYSA-N
XLogP3.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylanilino)-3-oxopropyl]-2-chlorobenzamide?
The IUPAC name of N-[3-(4-acetylanilino)-3-oxopropyl]-2-chlorobenzamide (CID 2492016) is N-[3-(4-acetylanilino)-3-oxopropyl]-2-chlorobenzamide.
What is the SMILES notation for N-[3-(4-acetylanilino)-3-oxopropyl]-2-chlorobenzamide?
The canonical SMILES for N-[3-(4-acetylanilino)-3-oxopropyl]-2-chlorobenzamide is CC(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of N-[3-(4-acetylanilino)-3-oxopropyl]-2-chlorobenzamide?
The InChIKey is AHQSWIFOMNNIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-12(22)13-6-8-14(9-7-13)21-17(23)10-11-20-18(24)15-4-2-3-5-16(15)19/h2-9H,10-11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[3-(4-acetylanilino)-3-oxopropyl]-2-chlorobenzamide?
N-[3-(4-acetylanilino)-3-oxopropyl]-2-chlorobenzamide has a molecular weight of 344.80 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylanilino)-3-oxopropyl]-2-chlorobenzamide is sourced from PubChem (CID 2492016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).