N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide

C17H17ClN2O3 — CID 8763306

IUPACN-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C17H17ClN2O3/c1-23-15-8-7-13(18)11-14(15)20-16(21)9-10-19-17(22)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyKUXCIELWQXTELQ-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.11
Rot. Bonds6

About N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide

N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide (PubChem CID 8763306) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide
PubChem CID8763306
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C17H17ClN2O3/c1-23-15-8-7-13(18)11-14(15)20-16(21)9-10-19-17(22)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyKUXCIELWQXTELQ-UHFFFAOYSA-N
XLogP3.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide
CID 39753632
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide
CID 9098271
2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide
CID 55807341
4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045180
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9413480
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide
CID 29371184
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976520
4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 24647438
2-amino-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-3-methoxypropanamide
CID 120991653

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide?
The IUPAC name of N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide (CID 8763306) is N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide is COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide?
The InChIKey is KUXCIELWQXTELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-23-15-8-7-13(18)11-14(15)20-16(21)9-10-19-17(22)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide?
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide has a molecular weight of 332.79 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 8763306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).