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

C23H26ClN3O3 — CID 53146106

IUPACN-[(4-chlorophenyl)methyl]-4-(cyclobutanecarbonylamino)-2-morpholin-4-ylbenzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(NC(=O)C2CCC2)cc1N1CCOCC1
InChIInChI=1S/C23H26ClN3O3/c24-18-6-4-16(5-7-18)15-25-23(29)20-9-8-19(26-22(28)17-2-1-3-17)14-21(20)27-10-12-30-13-11-27/h4-9,14,17H,1-3,10-13,15H2,(H,25,29)(H,26,28)
InChIKeyFKDGEKKCAZDNFO-UHFFFAOYSA-N
MW427.93 g/mol
LogP3.85
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-4-(cyclobutanecarbonylamino)-2-morpholin-4-ylbenzamide (PubChem CID 53146106) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(cyclobutanecarbonylamino)-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(cyclobutanecarbonylamino)-2-morpholin-4-ylbenzamide
PubChem CID53146106
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(cyclobutanecarbonylamino)-2-morpholin-4-ylbenzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(NC(=O)C2CCC2)cc1N1CCOCC1
InChIInChI=1S/C23H26ClN3O3/c24-18-6-4-16(5-7-18)15-25-23(29)20-9-8-19(26-22(28)17-2-1-3-17)14-21(20)27-10-12-30-13-11-27/h4-9,14,17H,1-3,10-13,15H2,(H,25,29)(H,26,28)
InChIKeyFKDGEKKCAZDNFO-UHFFFAOYSA-N
XLogP3.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide
CID 53145983
2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-[(4-methoxyphenyl)methyl]benzamide
CID 53146004
1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 100522699
4-(cyclopropanecarbonylamino)-N-[(2,4-difluorophenyl)methyl]-2-piperidin-1-ylbenzamide
CID 53145960
5-(cyclobutanecarbonylamino)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42678121
5-(cyclobutanecarbonylamino)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42678089
5-(cyclobutanecarbonylamino)-N-[(4-fluorophenyl)methyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]benzamide
CID 42678066
N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide
CID 110405120
N-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide
CID 121063337
5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 1065648
4-acetamido-N-[(4-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide
CID 53145952
4-[4-(cyclobutanecarbonylamino)-2-[(4-fluorophenyl)methylcarbamoyl]phenyl]-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide
CID 42678745

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(cyclobutanecarbonylamino)-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(cyclobutanecarbonylamino)-2-morpholin-4-ylbenzamide (CID 53146106) is N-[(4-chlorophenyl)methyl]-4-(cyclobutanecarbonylamino)-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(cyclobutanecarbonylamino)-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(cyclobutanecarbonylamino)-2-morpholin-4-ylbenzamide is O=C(NCc1ccc(Cl)cc1)c1ccc(NC(=O)C2CCC2)cc1N1CCOCC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(cyclobutanecarbonylamino)-2-morpholin-4-ylbenzamide?
The InChIKey is FKDGEKKCAZDNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c24-18-6-4-16(5-7-18)15-25-23(29)20-9-8-19(26-22(28)17-2-1-3-17)14-21(20)27-10-12-30-13-11-27/h4-9,14,17H,1-3,10-13,15H2,(H,25,29)(H,26,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(cyclobutanecarbonylamino)-2-morpholin-4-ylbenzamide?
N-[(4-chlorophenyl)methyl]-4-(cyclobutanecarbonylamino)-2-morpholin-4-ylbenzamide has a molecular weight of 427.93 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(cyclobutanecarbonylamino)-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 53146106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).