4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide

C16H15ClN2O3 — CID 112774949

IUPAC4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide
SMILESCNC(=O)COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O3/c1-18-15(20)10-22-14-8-6-13(7-9-14)19-16(21)11-2-4-12(17)5-3-11/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyRTFUZICKDXGMPZ-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.72
Rot. Bonds5

About 4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide

4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide (PubChem CID 112774949) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide
PubChem CID112774949
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide
SMILESCNC(=O)COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O3/c1-18-15(20)10-22-14-8-6-13(7-9-14)19-16(21)11-2-4-12(17)5-3-11/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyRTFUZICKDXGMPZ-UHFFFAOYSA-N
XLogP2.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3347368
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CID 2710766
2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid
CID 45434797
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7816201
4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26417233
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide
CID 9076385
4-[4-[(4-chlorophenyl)carbamoyl]phenoxy]butanoic acid
CID 20984298
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
2-(4-chlorophenoxy)-N-[4-(2-methoxyethylamino)phenyl]acetamide
CID 112980930
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide (CID 112774949) is 4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide is CNC(=O)COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide?
The InChIKey is RTFUZICKDXGMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-18-15(20)10-22-14-8-6-13(7-9-14)19-16(21)11-2-4-12(17)5-3-11/h2-9H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide?
4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide has a molecular weight of 318.76 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide is sourced from PubChem (CID 112774949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).