N-[2-(3,4-dichlorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-N-methylbenzamide

C25H31Cl2N3O2 — CID 10005190

IUPACN-[2-(3,4-dichlorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-N-methylbenzamide
SMILESCN(CC(CCN1CC(N2CCOCC2)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
InChIInChI=1S/C25H31Cl2N3O2/c1-28(25(31)19-5-3-2-4-6-19)16-21(20-7-8-23(26)24(27)15-20)9-10-29-17-22(18-29)30-11-13-32-14-12-30/h2-8,15,21-22H,9-14,16-18H2,1H3
InChIKeyIVTHAPWFCZUPEF-UHFFFAOYSA-N
MW476.45 g/mol
LogP4.26
Rot. Bonds8

About N-[2-(3,4-dichlorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-N-methylbenzamide

N-[2-(3,4-dichlorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-N-methylbenzamide (PubChem CID 10005190) has the molecular formula C25H31Cl2N3O2 and a molecular weight of 476.45 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-N-methylbenzamide
PubChem CID10005190
Molecular FormulaC25H31Cl2N3O2
Molecular Weight476.45 g/mol
Exact Mass475.18
IUPAC NameN-[2-(3,4-dichlorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-N-methylbenzamide
SMILESCN(CC(CCN1CC(N2CCOCC2)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
InChIInChI=1S/C25H31Cl2N3O2/c1-28(25(31)19-5-3-2-4-6-19)16-21(20-7-8-23(26)24(27)15-20)9-10-29-17-22(18-29)30-11-13-32-14-12-30/h2-8,15,21-22H,9-14,16-18H2,1H3
InChIKeyIVTHAPWFCZUPEF-UHFFFAOYSA-N
XLogP4.26
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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5-(3,4-Dichlorophenyl)-1-[(2-methylphenyl)methyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
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N-[2-(3,4-Dichloro-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-N-methylbenzamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-N-methylbenzamide (CID 10005190) is N-[2-(3,4-dichlorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-N-methylbenzamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-N-methylbenzamide is CN(CC(CCN1CC(N2CCOCC2)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-N-methylbenzamide?
The InChIKey is IVTHAPWFCZUPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31Cl2N3O2/c1-28(25(31)19-5-3-2-4-6-19)16-21(20-7-8-23(26)24(27)15-20)9-10-29-17-22(18-29)30-11-13-32-14-12-30/h2-8,15,21-22H,9-14,16-18H2,1H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-N-methylbenzamide?
N-[2-(3,4-dichlorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-N-methylbenzamide has a molecular weight of 476.45 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-N-methylbenzamide is sourced from PubChem (CID 10005190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).