N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide

C22H24ClN3O3 — CID 53146094

IUPACN-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1N1CCOCC1
InChIInChI=1S/C22H24ClN3O3/c23-17-3-1-2-15(12-17)14-24-22(28)19-7-6-18(25-21(27)16-4-5-16)13-20(19)26-8-10-29-11-9-26/h1-3,6-7,12-13,16H,4-5,8-11,14H2,(H,24,28)(H,25,27)
InChIKeyAPYLEZLPAIEAQW-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.46
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide

N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide (PubChem CID 53146094) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide
PubChem CID53146094
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC NameN-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1N1CCOCC1
InChIInChI=1S/C22H24ClN3O3/c23-17-3-1-2-15(12-17)14-24-22(28)19-7-6-18(25-21(27)16-4-5-16)13-20(19)26-8-10-29-11-9-26/h1-3,6-7,12-13,16H,4-5,8-11,14H2,(H,24,28)(H,25,27)
InChIKeyAPYLEZLPAIEAQW-UHFFFAOYSA-N
XLogP3.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide (CID 53146094) is N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide is O=C(NCc1cccc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1N1CCOCC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide?
The InChIKey is APYLEZLPAIEAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c23-17-3-1-2-15(12-17)14-24-22(28)19-7-6-18(25-21(27)16-4-5-16)13-20(19)26-8-10-29-11-9-26/h1-3,6-7,12-13,16H,4-5,8-11,14H2,(H,24,28)(H,25,27).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide?
N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide has a molecular weight of 413.91 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 53146094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).