N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide

C22H23ClFN3O3 — CID 53146092

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide
SMILESO=C(NCc1ccc(F)cc1Cl)c1ccc(NC(=O)C2CC2)cc1N1CCOCC1
InChIInChI=1S/C22H23ClFN3O3/c23-19-11-16(24)4-3-15(19)13-25-22(29)18-6-5-17(26-21(28)14-1-2-14)12-20(18)27-7-9-30-10-8-27/h3-6,11-12,14H,1-2,7-10,13H2,(H,25,29)(H,26,28)
InChIKeyZMFHLXALDGXLSD-UHFFFAOYSA-N
MW431.90 g/mol
LogP3.59
Rot. Bonds6

About N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide

N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide (PubChem CID 53146092) has the molecular formula C22H23ClFN3O3 and a molecular weight of 431.90 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide
PubChem CID53146092
Molecular FormulaC22H23ClFN3O3
Molecular Weight431.90 g/mol
Exact Mass431.14
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide
SMILESO=C(NCc1ccc(F)cc1Cl)c1ccc(NC(=O)C2CC2)cc1N1CCOCC1
InChIInChI=1S/C22H23ClFN3O3/c23-19-11-16(24)4-3-15(19)13-25-22(29)18-6-5-17(26-21(28)14-1-2-14)12-20(18)27-7-9-30-10-8-27/h3-6,11-12,14H,1-2,7-10,13H2,(H,25,29)(H,26,28)
InChIKeyZMFHLXALDGXLSD-UHFFFAOYSA-N
XLogP3.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide (CID 53146092) is N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide is O=C(NCc1ccc(F)cc1Cl)c1ccc(NC(=O)C2CC2)cc1N1CCOCC1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide?
The InChIKey is ZMFHLXALDGXLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O3/c23-19-11-16(24)4-3-15(19)13-25-22(29)18-6-5-17(26-21(28)14-1-2-14)12-20(18)27-7-9-30-10-8-27/h3-6,11-12,14H,1-2,7-10,13H2,(H,25,29)(H,26,28).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide?
N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide has a molecular weight of 431.90 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 53146092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).