(2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide

C22H21ClN2O2 — CID 23625504

IUPAC(2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide
SMILESNC(=O)[C@@H](NCc1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1
InChIInChI=1S/C22H21ClN2O2/c23-19-8-4-5-17(13-19)15-27-20-11-9-16(10-12-20)14-25-21(22(24)26)18-6-2-1-3-7-18/h1-13,21,25H,14-15H2,(H2,24,26)/t21-/m0/s1
InChIKeyUGAZPYAMTAVKDF-NRFANRHFSA-N
MW380.88 g/mol
LogP4.24
Rot. Bonds8

About (2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide

(2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide (PubChem CID 23625504) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is (2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide
PubChem CID23625504
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name(2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide
SMILESNC(=O)[C@@H](NCc1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1
InChIInChI=1S/C22H21ClN2O2/c23-19-8-4-5-17(13-19)15-27-20-11-9-16(10-12-20)14-25-21(22(24)26)18-6-2-1-3-7-18/h1-13,21,25H,14-15H2,(H2,24,26)/t21-/m0/s1
InChIKeyUGAZPYAMTAVKDF-NRFANRHFSA-N
XLogP4.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide
CID 151046372
(2S)-2-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methylamino]-2-phenylacetamide
CID 95302590
2-(benzylamino)-2-(3-methoxyphenyl)acetamide
CID 10849658
2-[[4-(ethoxymethyl)phenyl]methylamino]-2-phenylacetamide
CID 56811841
3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide
CID 175884852
2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide
CID 10732289
2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide
CID 10639305
(2S)-2-[2-(4-chlorophenoxy)ethylamino]-2-phenylacetamide
CID 33475459
2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-(furan-2-yl)acetamide
CID 46223823
2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride
CID 139767883
3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 2763529
2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide
CID 115524447

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide (CID 23625504) is (2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide is NC(=O)[C@@H](NCc1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1.
What is the InChIKey of (2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide?
The InChIKey is UGAZPYAMTAVKDF-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c23-19-8-4-5-17(13-19)15-27-20-11-9-16(10-12-20)14-25-21(22(24)26)18-6-2-1-3-7-18/h1-13,21,25H,14-15H2,(H2,24,26)/t21-/m0/s1.
What are the key properties of (2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide?
(2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide has a molecular weight of 380.88 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide is sourced from PubChem (CID 23625504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).