(2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide

C19H20Cl2N4O3 — CID 97217806

IUPAC(2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide
SMILESNC(=O)Nc1cccc(NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)c1
InChIInChI=1S/C19H20Cl2N4O3/c20-12-4-5-15(16(21)10-12)17(25-6-8-28-9-7-25)18(26)23-13-2-1-3-14(11-13)24-19(22)27/h1-5,10-11,17H,6-9H2,(H,23,26)(H3,22,24,27)/t17-/m0/s1
InChIKeyQDZYHIXYEROPMU-KRWDZBQOSA-N
MW423.30 g/mol
LogP3.50
Rot. Bonds5

About (2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide

(2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide (PubChem CID 97217806) has the molecular formula C19H20Cl2N4O3 and a molecular weight of 423.30 g/mol. Its IUPAC name is (2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound Name(2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide
PubChem CID97217806
Molecular FormulaC19H20Cl2N4O3
Molecular Weight423.30 g/mol
Exact Mass422.09
IUPAC Name(2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide
SMILESNC(=O)Nc1cccc(NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)c1
InChIInChI=1S/C19H20Cl2N4O3/c20-12-4-5-15(16(21)10-12)17(25-6-8-28-9-7-25)18(26)23-13-2-1-3-14(11-13)24-19(22)27/h1-5,10-11,17H,6-9H2,(H,23,26)(H3,22,24,27)/t17-/m0/s1
InChIKeyQDZYHIXYEROPMU-KRWDZBQOSA-N
XLogP3.50
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of (2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide (CID 97217806) is (2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for (2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for (2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide is NC(=O)Nc1cccc(NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)c1.
What is the InChIKey of (2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide?
The InChIKey is QDZYHIXYEROPMU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20Cl2N4O3/c20-12-4-5-15(16(21)10-12)17(25-6-8-28-9-7-25)18(26)23-13-2-1-3-14(11-13)24-19(22)27/h1-5,10-11,17H,6-9H2,(H,23,26)(H3,22,24,27)/t17-/m0/s1.
What are the key properties of (2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide?
(2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide has a molecular weight of 423.30 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 97217806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).