(2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide

C21H19ClN2O2 — CID 151046372

IUPAC(2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide
SMILESNC(=O)[C@@H](NCc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1
InChIInChI=1S/C21H19ClN2O2/c22-17-8-12-19(13-9-17)26-18-10-6-15(7-11-18)14-24-20(21(23)25)16-4-2-1-3-5-16/h1-13,20,24H,14H2,(H2,23,25)/t20-/m0/s1
InChIKeyMDEGVUQWZULKHF-FQEVSTJZSA-N
MW366.85 g/mol
LogP4.45
Rot. Bonds7

About (2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide

(2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide (PubChem CID 151046372) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is (2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide
PubChem CID151046372
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name(2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide
SMILESNC(=O)[C@@H](NCc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1
InChIInChI=1S/C21H19ClN2O2/c22-17-8-12-19(13-9-17)26-18-10-6-15(7-11-18)14-24-20(21(23)25)16-4-2-1-3-5-16/h1-13,20,24H,14H2,(H2,23,25)/t20-/m0/s1
InChIKeyMDEGVUQWZULKHF-FQEVSTJZSA-N
XLogP4.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide
CID 23625504
(2S)-2-[2-(4-chlorophenoxy)ethylamino]-2-phenylacetamide
CID 33475459
2-[[4-(ethoxymethyl)phenyl]methylamino]-2-phenylacetamide
CID 56811841
(2S)-2-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]acetamide
CID 94562119
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetamide
CID 10824853
2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide
CID 115524447
(2S)-2-[(2-chlorophenyl)methylamino]-2-phenylacetamide
CID 33401995
(2S)-2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-phenylacetamide
CID 33475058
3-hydroxy-2-[(4-phenoxyphenyl)methylamino]butanamide
CID 57057226
(2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide
CID 92842730
2-(benzylamino)-2-(3-methoxyphenyl)acetamide
CID 10849658
2-phenyl-2-[(4-pyridin-3-ylphenyl)methylamino]acetamide
CID 75374761

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide (CID 151046372) is (2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide is NC(=O)[C@@H](NCc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1.
What is the InChIKey of (2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide?
The InChIKey is MDEGVUQWZULKHF-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-17-8-12-19(13-9-17)26-18-10-6-15(7-11-18)14-24-20(21(23)25)16-4-2-1-3-5-16/h1-13,20,24H,14H2,(H2,23,25)/t20-/m0/s1.
What are the key properties of (2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide?
(2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide has a molecular weight of 366.85 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide is sourced from PubChem (CID 151046372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).