2-chloro-3-[(3,5-dichlorobenzoyl)amino]-4-(difluoromethoxy)-N-(1-methyltetrazol-5-yl)benzamide

C17H11Cl3F2N6O3 — CID 168840880

IUPAC2-chloro-3-[(3,5-dichlorobenzoyl)amino]-4-(difluoromethoxy)-N-(1-methyltetrazol-5-yl)benzamide
SMILESCn1nnnc1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2cc(Cl)cc(Cl)c2)c1Cl
InChIInChI=1S/C17H11Cl3F2N6O3/c1-28-17(25-26-27-28)24-15(30)10-2-3-11(31-16(21)22)13(12(10)20)23-14(29)7-4-8(18)6-9(19)5-7/h2-6,16H,1H3,(H,23,29)(H,24,25,27,30)
InChIKeyVSTVVBSKBAGILN-UHFFFAOYSA-N
MW491.67 g/mol
LogP4.28
Rot. Bonds6

About 2-chloro-3-[(3,5-dichlorobenzoyl)amino]-4-(difluoromethoxy)-N-(1-methyltetrazol-5-yl)benzamide

2-chloro-3-[(3,5-dichlorobenzoyl)amino]-4-(difluoromethoxy)-N-(1-methyltetrazol-5-yl)benzamide (PubChem CID 168840880) has the molecular formula C17H11Cl3F2N6O3 and a molecular weight of 491.67 g/mol. Its IUPAC name is 2-chloro-3-[(3,5-dichlorobenzoyl)amino]-4-(difluoromethoxy)-N-(1-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-3-[(3,5-dichlorobenzoyl)amino]-4-(difluoromethoxy)-N-(1-methyltetrazol-5-yl)benzamide
PubChem CID168840880
Molecular FormulaC17H11Cl3F2N6O3
Molecular Weight491.67 g/mol
Exact Mass489.99
IUPAC Name2-chloro-3-[(3,5-dichlorobenzoyl)amino]-4-(difluoromethoxy)-N-(1-methyltetrazol-5-yl)benzamide
SMILESCn1nnnc1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2cc(Cl)cc(Cl)c2)c1Cl
InChIInChI=1S/C17H11Cl3F2N6O3/c1-28-17(25-26-27-28)24-15(30)10-2-3-11(31-16(21)22)13(12(10)20)23-14(29)7-4-8(18)6-9(19)5-7/h2-6,16H,1H3,(H,23,29)(H,24,25,27,30)
InChIKeyVSTVVBSKBAGILN-UHFFFAOYSA-N
XLogP4.28
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.67
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-chloro-3-[(3,5-dichlorobenzoyl)amino]-4-(difluoromethoxy)-N-(1-methyltetrazol-5-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(3,5-dichlorobenzoyl)amino]-4-(difluoromethoxy)-N-(1-methyltetrazol-5-yl)benzamide?
The IUPAC name of 2-chloro-3-[(3,5-dichlorobenzoyl)amino]-4-(difluoromethoxy)-N-(1-methyltetrazol-5-yl)benzamide (CID 168840880) is 2-chloro-3-[(3,5-dichlorobenzoyl)amino]-4-(difluoromethoxy)-N-(1-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-3-[(3,5-dichlorobenzoyl)amino]-4-(difluoromethoxy)-N-(1-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-3-[(3,5-dichlorobenzoyl)amino]-4-(difluoromethoxy)-N-(1-methyltetrazol-5-yl)benzamide is Cn1nnnc1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2cc(Cl)cc(Cl)c2)c1Cl.
What is the InChIKey of 2-chloro-3-[(3,5-dichlorobenzoyl)amino]-4-(difluoromethoxy)-N-(1-methyltetrazol-5-yl)benzamide?
The InChIKey is VSTVVBSKBAGILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3F2N6O3/c1-28-17(25-26-27-28)24-15(30)10-2-3-11(31-16(21)22)13(12(10)20)23-14(29)7-4-8(18)6-9(19)5-7/h2-6,16H,1H3,(H,23,29)(H,24,25,27,30).
What are the key properties of 2-chloro-3-[(3,5-dichlorobenzoyl)amino]-4-(difluoromethoxy)-N-(1-methyltetrazol-5-yl)benzamide?
2-chloro-3-[(3,5-dichlorobenzoyl)amino]-4-(difluoromethoxy)-N-(1-methyltetrazol-5-yl)benzamide has a molecular weight of 491.67 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(3,5-dichlorobenzoyl)amino]-4-(difluoromethoxy)-N-(1-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 168840880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).