2-[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethoxy]benzamide

C22H19ClN2O3 — CID 8851691

IUPAC2-[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN2O3/c23-17-12-10-16(11-13-17)21(15-6-2-1-3-7-15)25-20(26)14-28-19-9-5-4-8-18(19)22(24)27/h1-13,21H,14H2,(H2,24,27)(H,25,26)/t21-/m0/s1
InChIKeyPOLHUTJSWPCHJX-NRFANRHFSA-N
MW394.86 g/mol
LogP3.72
Rot. Bonds7

About 2-[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethoxy]benzamide

2-[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethoxy]benzamide (PubChem CID 8851691) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethoxy]benzamide
PubChem CID8851691
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name2-[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN2O3/c23-17-12-10-16(11-13-17)21(15-6-2-1-3-7-15)25-20(26)14-28-19-9-5-4-8-18(19)22(24)27/h1-13,21H,14H2,(H2,24,27)(H,25,26)/t21-/m0/s1
InChIKeyPOLHUTJSWPCHJX-NRFANRHFSA-N
XLogP3.72
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7199656
2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]benzamide
CID 8866061
2-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 4884296
2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzamide
CID 9085660
(2R)-2-[[2-(2-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 54991568
2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 99950620
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 132762003
N-[(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 2944649
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 2195570
2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 92679394
2-[2-(2-chloroanilino)-2-oxoethoxy]benzamide
CID 3481891
2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide
CID 2466705

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethoxy]benzamide (CID 8851691) is 2-[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethoxy]benzamide is NC(=O)c1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethoxy]benzamide?
The InChIKey is POLHUTJSWPCHJX-NRFANRHFSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c23-17-12-10-16(11-13-17)21(15-6-2-1-3-7-15)25-20(26)14-28-19-9-5-4-8-18(19)22(24)27/h1-13,21H,14H2,(H2,24,27)(H,25,26)/t21-/m0/s1.
What are the key properties of 2-[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethoxy]benzamide?
2-[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethoxy]benzamide has a molecular weight of 394.86 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 8851691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).