2-chloro-N-[3-[4-[3-[(2-chlorobenzoyl)amino]phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide

C32H18Cl2F4N2O4 — CID 3704239

IUPAC2-chloro-N-[3-[4-[3-[(2-chlorobenzoyl)amino]phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide
SMILESO=C(Nc1cccc(Oc2c(F)c(F)c(Oc3cccc(NC(=O)c4ccccc4Cl)c3)c(F)c2F)c1)c1ccccc1Cl
InChIInChI=1S/C32H18Cl2F4N2O4/c33-23-13-3-1-11-21(23)31(41)39-17-7-5-9-19(15-17)43-29-25(35)27(37)30(28(38)26(29)36)44-20-10-6-8-18(16-20)40-32(42)22-12-2-4-14-24(22)34/h1-16H,(H,39,41)(H,40,42)
InChIKeyJPXDZTXIVSFCEL-UHFFFAOYSA-N
MW641.40 g/mol
LogP9.64
Rot. Bonds8

About 2-chloro-N-[3-[4-[3-[(2-chlorobenzoyl)amino]phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide

2-chloro-N-[3-[4-[3-[(2-chlorobenzoyl)amino]phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide (PubChem CID 3704239) has the molecular formula C32H18Cl2F4N2O4 and a molecular weight of 641.40 g/mol. Its IUPAC name is 2-chloro-N-[3-[4-[3-[(2-chlorobenzoyl)amino]phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[4-[3-[(2-chlorobenzoyl)amino]phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide
PubChem CID3704239
Molecular FormulaC32H18Cl2F4N2O4
Molecular Weight641.40 g/mol
Exact Mass640.06
IUPAC Name2-chloro-N-[3-[4-[3-[(2-chlorobenzoyl)amino]phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide
SMILESO=C(Nc1cccc(Oc2c(F)c(F)c(Oc3cccc(NC(=O)c4ccccc4Cl)c3)c(F)c2F)c1)c1ccccc1Cl
InChIInChI=1S/C32H18Cl2F4N2O4/c33-23-13-3-1-11-21(23)31(41)39-17-7-5-9-19(15-17)43-29-25(35)27(37)30(28(38)26(29)36)44-20-10-6-8-18(16-20)40-32(42)22-12-2-4-14-24(22)34/h1-16H,(H,39,41)(H,40,42)
InChIKeyJPXDZTXIVSFCEL-UHFFFAOYSA-N
XLogP9.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.40
LogP ≤ 59.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-{4-[(2-fluorobenzoyl)amino]-2-methoxyphenyl}benzamide
CID 1313347
2-chloro-N-(2-methoxy-4-{[(4-methoxyphenoxy)acetyl]amino}phenyl)benzamide
CID 1255219
2-chloro-6-fluoro-N-(3-piperidin-4-yloxyphenyl)benzamide
CID 44216156
N-{3-(4-Ethoxyphenoxy)-5-[(4-fluorobenzoyl)amino]phenyl}-4-fluorobenzamide
CID 1242259
2-Chloro-N-(4-{3-[4-(2-chlorobenzamido)phenoxy]phenoxy}phenyl)benzamide
CID 3102224
[4-[3-[[4-Chloro-3-(trifluoromethyl)benzoyl]amino]phenoxy]phenyl] carbamimidate;hydrochloride
CID 145989772
4-chloro-N-[3-[4-(diaminomethylideneamino)phenoxy]phenyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 145994292
N-[3-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-chloro-6-fluorobenzamide
CID 155567026
2-chloro-4-fluoro-N-(3-methoxyphenyl)benzamide
CID 6465515
2-chloro-4-fluoro-N-[3-fluoro-5-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 44216158
2-chloro-N-(3-propan-2-yloxyphenyl)benzamide
CID 181182
2-chloro-N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide
CID 1218544

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[4-[3-[(2-chlorobenzoyl)amino]phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[4-[3-[(2-chlorobenzoyl)amino]phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide (CID 3704239) is 2-chloro-N-[3-[4-[3-[(2-chlorobenzoyl)amino]phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[4-[3-[(2-chlorobenzoyl)amino]phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[4-[3-[(2-chlorobenzoyl)amino]phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide is O=C(Nc1cccc(Oc2c(F)c(F)c(Oc3cccc(NC(=O)c4ccccc4Cl)c3)c(F)c2F)c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[4-[3-[(2-chlorobenzoyl)amino]phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide?
The InChIKey is JPXDZTXIVSFCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18Cl2F4N2O4/c33-23-13-3-1-11-21(23)31(41)39-17-7-5-9-19(15-17)43-29-25(35)27(37)30(28(38)26(29)36)44-20-10-6-8-18(16-20)40-32(42)22-12-2-4-14-24(22)34/h1-16H,(H,39,41)(H,40,42).
What are the key properties of 2-chloro-N-[3-[4-[3-[(2-chlorobenzoyl)amino]phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide?
2-chloro-N-[3-[4-[3-[(2-chlorobenzoyl)amino]phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide has a molecular weight of 641.40 g/mol, XLogP of 9.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[4-[3-[(2-chlorobenzoyl)amino]phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide is sourced from PubChem (CID 3704239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).