N-[4-[acetyl(methyl)amino]phenyl]-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]acetamide

C19H22ClN3O3 — CID 95121989

IUPACN-[4-[acetyl(methyl)amino]phenyl]-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)CNC[C@H](O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClN3O3/c1-13(24)23(2)15-9-7-14(8-10-15)22-19(26)12-21-11-18(25)16-5-3-4-6-17(16)20/h3-10,18,21,25H,11-12H2,1-2H3,(H,22,26)/t18-/m0/s1
InChIKeySXYPDHVSZIMLSI-SFHVURJKSA-N
MW375.86 g/mol
LogP2.58
Rot. Bonds7

About N-[4-[acetyl(methyl)amino]phenyl]-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]acetamide

N-[4-[acetyl(methyl)amino]phenyl]-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]acetamide (PubChem CID 95121989) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]acetamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]acetamide
PubChem CID95121989
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)CNC[C@H](O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClN3O3/c1-13(24)23(2)15-9-7-14(8-10-15)22-19(26)12-21-11-18(25)16-5-3-4-6-17(16)20/h3-10,18,21,25H,11-12H2,1-2H3,(H,22,26)/t18-/m0/s1
InChIKeySXYPDHVSZIMLSI-SFHVURJKSA-N
XLogP2.58
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[4-(dimethylamino)phenyl]urea
CID 111452567
N-[4-[acetyl(methyl)amino]phenyl]-2-(1-phenylethylamino)acetamide
CID 54814802
2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide
CID 86862600
N-(4-chlorophenyl)-2-[(2-hydroxy-2-phenylethyl)amino]acetamide
CID 43389783
N-[4-[acetyl(methyl)amino]phenyl]-2-(2-thiophen-2-ylethylamino)acetamide
CID 50971166
2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide
CID 54811000
N-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2905131
2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide
CID 54831552
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-chlorobenzamide
CID 4626889
2-[4-[acetyl(methyl)amino]anilino]-N-(4-ethoxyphenyl)acetamide
CID 54810999
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
N-[4-[acetyl(methyl)amino]phenyl]-4,5-dichloro-1-methylpyrrole-2-carboxamide
CID 51127242

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]acetamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]acetamide (CID 95121989) is N-[4-[acetyl(methyl)amino]phenyl]-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]acetamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]acetamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]acetamide is CC(=O)N(C)c1ccc(NC(=O)CNC[C@H](O)c2ccccc2Cl)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]acetamide?
The InChIKey is SXYPDHVSZIMLSI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-13(24)23(2)15-9-7-14(8-10-15)22-19(26)12-21-11-18(25)16-5-3-4-6-17(16)20/h3-10,18,21,25H,11-12H2,1-2H3,(H,22,26)/t18-/m0/s1.
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]acetamide?
N-[4-[acetyl(methyl)amino]phenyl]-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]acetamide has a molecular weight of 375.86 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]acetamide is sourced from PubChem (CID 95121989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).