N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[4-[(2-oxooxolan-3-yl)amino]butoxy]benzamide

C21H21Cl2F2N3O5 — CID 71254931

IUPACN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[4-[(2-oxooxolan-3-yl)amino]butoxy]benzamide
SMILESO=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCCNC2CCOC2=O)c1
InChIInChI=1S/C21H21Cl2F2N3O5/c22-13-10-26-11-14(23)18(13)28-19(29)12-3-4-16(33-21(24)25)17(9-12)31-7-2-1-6-27-15-5-8-32-20(15)30/h3-4,9-11,15,21,27H,1-2,5-8H2,(H,26,28,29)
InChIKeyDXCZVUGSWTZEKE-UHFFFAOYSA-N
MW504.32 g/mol
LogP4.31
Rot. Bonds11

About N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[4-[(2-oxooxolan-3-yl)amino]butoxy]benzamide

N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[4-[(2-oxooxolan-3-yl)amino]butoxy]benzamide (PubChem CID 71254931) has the molecular formula C21H21Cl2F2N3O5 and a molecular weight of 504.32 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[4-[(2-oxooxolan-3-yl)amino]butoxy]benzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[4-[(2-oxooxolan-3-yl)amino]butoxy]benzamide
PubChem CID71254931
Molecular FormulaC21H21Cl2F2N3O5
Molecular Weight504.32 g/mol
Exact Mass503.08
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[4-[(2-oxooxolan-3-yl)amino]butoxy]benzamide
SMILESO=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCCNC2CCOC2=O)c1
InChIInChI=1S/C21H21Cl2F2N3O5/c22-13-10-26-11-14(23)18(13)28-19(29)12-3-4-16(33-21(24)25)17(9-12)31-7-2-1-6-27-15-5-8-32-20(15)30/h3-4,9-11,15,21,27H,1-2,5-8H2,(H,26,28,29)
InChIKeyDXCZVUGSWTZEKE-UHFFFAOYSA-N
XLogP4.31
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.32
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[4-[(2-oxooxolan-3-yl)amino]butoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Roflumilast
CID 449193
Piclamilast
CID 154575
3-(Bicyclo[2.2.1]hept-2-yloxy)-N-(3,5-dichloro-pyridin-4-yl)-4-methoxy-benzamide
CID 44292198
3-Cyclopentyloxy-N-(3,5-dimethyl-pyridin-4-yl)-4-methoxy-benzamide
CID 9974519
3-Cyclohexyloxy-N-(3,5-dichloro-pyridin-4-yl)-4-methoxy-benzamide
CID 10000753
3-Butoxy-N-(3,5-dichloro-pyridin-4-yl)-4-methoxy-benzamide
CID 10021978
N-(3-chloro-2,5,6-trifluoro-pyridin-4-yl)-3-cyclopentyloxy-4-methoxy-benzamide
CID 10023953
N-(3,5-Dichloro-pyridin-4-yl)-3,4-dimethoxy-benzamide
CID 10042087
3-cyclopentyloxy-N-(3,5-dichloro-2,6-difluoro-pyridin-4-yl)-4-methoxy-benzamide
CID 10070567
Benzamide,n-(4-chloro-3-pyridinyl)-3-(cyclopentyloxy)-4-methoxy-
CID 10337712
N-(3-Chloro-4-pyridinyl)-3-(cyclopentyloxy)-4-methoxybenzamide
CID 10383026
3-Cyclopentyloxy-4-methoxy-N-(2,3,5-trifluoro-pyridin-4-yl)-benzamide
CID 10406571

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[4-[(2-oxooxolan-3-yl)amino]butoxy]benzamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[4-[(2-oxooxolan-3-yl)amino]butoxy]benzamide (CID 71254931) is N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[4-[(2-oxooxolan-3-yl)amino]butoxy]benzamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[4-[(2-oxooxolan-3-yl)amino]butoxy]benzamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[4-[(2-oxooxolan-3-yl)amino]butoxy]benzamide is O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCCNC2CCOC2=O)c1.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[4-[(2-oxooxolan-3-yl)amino]butoxy]benzamide?
The InChIKey is DXCZVUGSWTZEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2F2N3O5/c22-13-10-26-11-14(23)18(13)28-19(29)12-3-4-16(33-21(24)25)17(9-12)31-7-2-1-6-27-15-5-8-32-20(15)30/h3-4,9-11,15,21,27H,1-2,5-8H2,(H,26,28,29).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[4-[(2-oxooxolan-3-yl)amino]butoxy]benzamide?
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[4-[(2-oxooxolan-3-yl)amino]butoxy]benzamide has a molecular weight of 504.32 g/mol, XLogP of 4.31, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[4-[(2-oxooxolan-3-yl)amino]butoxy]benzamide is sourced from PubChem (CID 71254931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).