4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide

C18H19ClN2O3 — CID 9495839

IUPAC4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide
SMILESCOc1cccc(CNC(=O)CCNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O3/c1-24-16-4-2-3-13(11-16)12-21-17(22)9-10-20-18(23)14-5-7-15(19)8-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyYRNGLIAHHUQXBC-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.78
Rot. Bonds7

About 4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide

4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide (PubChem CID 9495839) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide
PubChem CID9495839
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide
SMILESCOc1cccc(CNC(=O)CCNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O3/c1-24-16-4-2-3-13(11-16)12-21-17(22)9-10-20-18(23)14-5-7-15(19)8-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyYRNGLIAHHUQXBC-UHFFFAOYSA-N
XLogP2.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 113098173
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N-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide
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3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
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4-bromo-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide
CID 41286081
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
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CID 90480233

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide (CID 9495839) is 4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide is COc1cccc(CNC(=O)CCNC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide?
The InChIKey is YRNGLIAHHUQXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-24-16-4-2-3-13(11-16)12-21-17(22)9-10-20-18(23)14-5-7-15(19)8-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide has a molecular weight of 346.81 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 9495839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).