N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide

C16H20ClN5O2 — CID 138995301

IUPACN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C16H20ClN5O2/c17-14-4-2-1-3-13(14)15(21-5-7-24-8-6-21)9-19-16(23)10-22-12-18-11-20-22/h1-4,11-12,15H,5-10H2,(H,19,23)
InChIKeyVWZRKWXMPGGJQR-UHFFFAOYSA-N
MW349.82 g/mol
LogP1.12
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 138995301) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID138995301
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C16H20ClN5O2/c17-14-4-2-1-3-13(14)15(21-5-7-24-8-6-21)9-19-16(23)10-22-12-18-11-20-22/h1-4,11-12,15H,5-10H2,(H,19,23)
InChIKeyVWZRKWXMPGGJQR-UHFFFAOYSA-N
XLogP1.12
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119849627
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 35041740
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 37050457
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55609860
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60509719
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide
CID 39590991
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide
CID 37051019
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide
CID 35041725
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-phenylpropanamide
CID 120595396

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 138995301) is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NCC(c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is VWZRKWXMPGGJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c17-14-4-2-1-3-13(14)15(21-5-7-24-8-6-21)9-19-16(23)10-22-12-18-11-20-22/h1-4,11-12,15H,5-10H2,(H,19,23).
What are the key properties of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 349.82 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 138995301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).