N-[4-[[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]amino]phenyl]acetamide

C17H19ClN2O2 — CID 99840683

IUPACN-[4-[[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]amino]phenyl]acetamide
SMILESCOC[C@@H](Nc1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2/c1-12(21)19-15-7-9-16(10-8-15)20-17(11-22-2)13-3-5-14(18)6-4-13/h3-10,17,20H,11H2,1-2H3,(H,19,21)/t17-/m1/s1
InChIKeyDXRNTBABYVTRCM-QGZVFWFLSA-N
MW318.80 g/mol
LogP4.10
Rot. Bonds6

About N-[4-[[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]amino]phenyl]acetamide

N-[4-[[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]amino]phenyl]acetamide (PubChem CID 99840683) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is N-[4-[[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]amino]phenyl]acetamide
PubChem CID99840683
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC NameN-[4-[[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]amino]phenyl]acetamide
SMILESCOC[C@@H](Nc1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2/c1-12(21)19-15-7-9-16(10-8-15)20-17(11-22-2)13-3-5-14(18)6-4-13/h3-10,17,20H,11H2,1-2H3,(H,19,21)/t17-/m1/s1
InChIKeyDXRNTBABYVTRCM-QGZVFWFLSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-(4-chlorophenyl)propylamino]phenyl]urea
CID 43745000
N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 133255322
N-[3-[1-(4-chlorophenyl)propylamino]phenyl]acetamide
CID 43095855
4-[[1-(4-chlorophenyl)-2-methoxyethyl]amino]-4-oxobutanoic acid
CID 120602694
2-(4-acetamidophenyl)-N-[(1R)-1-(4-chlorophenyl)propyl]acetamide
CID 42138957
2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide
CID 110004204
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
methyl 2-(4-chloroanilino)-4-methoxy-3-methylbutanoate
CID 116502045
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133431
N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide
CID 112827917
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]amino]phenyl]acetamide (CID 99840683) is N-[4-[[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]amino]phenyl]acetamide is COC[C@@H](Nc1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[4-[[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]amino]phenyl]acetamide?
The InChIKey is DXRNTBABYVTRCM-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12(21)19-15-7-9-16(10-8-15)20-17(11-22-2)13-3-5-14(18)6-4-13/h3-10,17,20H,11H2,1-2H3,(H,19,21)/t17-/m1/s1.
What are the key properties of N-[4-[[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]amino]phenyl]acetamide?
N-[4-[[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]amino]phenyl]acetamide has a molecular weight of 318.80 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]amino]phenyl]acetamide is sourced from PubChem (CID 99840683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).