2-chloro-N-[[3-(difluoromethoxy)-4-[4-(difluoromethoxy)phenyl]phenyl]carbamoyl]benzamide

C22H15ClF4N2O4 — CID 134087446

IUPAC2-chloro-N-[[3-(difluoromethoxy)-4-[4-(difluoromethoxy)phenyl]phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1ccc(-c2ccc(OC(F)F)cc2)c(OC(F)F)c1
InChIInChI=1S/C22H15ClF4N2O4/c23-17-4-2-1-3-16(17)19(30)29-22(31)28-13-7-10-15(18(11-13)33-21(26)27)12-5-8-14(9-6-12)32-20(24)25/h1-11,20-21H,(H2,28,29,30,31)
InChIKeyWRANRRBLVAYNTA-UHFFFAOYSA-N
MW482.82 g/mol
LogP6.17
Rot. Bonds7

About 2-chloro-N-[[3-(difluoromethoxy)-4-[4-(difluoromethoxy)phenyl]phenyl]carbamoyl]benzamide

2-chloro-N-[[3-(difluoromethoxy)-4-[4-(difluoromethoxy)phenyl]phenyl]carbamoyl]benzamide (PubChem CID 134087446) has the molecular formula C22H15ClF4N2O4 and a molecular weight of 482.82 g/mol. Its IUPAC name is 2-chloro-N-[[3-(difluoromethoxy)-4-[4-(difluoromethoxy)phenyl]phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[3-(difluoromethoxy)-4-[4-(difluoromethoxy)phenyl]phenyl]carbamoyl]benzamide
PubChem CID134087446
Molecular FormulaC22H15ClF4N2O4
Molecular Weight482.82 g/mol
Exact Mass482.07
IUPAC Name2-chloro-N-[[3-(difluoromethoxy)-4-[4-(difluoromethoxy)phenyl]phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1ccc(-c2ccc(OC(F)F)cc2)c(OC(F)F)c1
InChIInChI=1S/C22H15ClF4N2O4/c23-17-4-2-1-3-16(17)19(30)29-22(31)28-13-7-10-15(18(11-13)33-21(26)27)12-5-8-14(9-6-12)32-20(24)25/h1-11,20-21H,(H2,28,29,30,31)
InChIKeyWRANRRBLVAYNTA-UHFFFAOYSA-N
XLogP6.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.82
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(3-chloro-4-phenylphenyl)carbamoyl]benzamide
CID 134092649
2-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]carbamoyl]benzamide
CID 134097756
2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide
CID 24576064
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285
2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide
CID 13186092
2-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide
CID 9405069
[4-[(2-chlorobenzoyl)carbamoylamino]-2-phenylphenyl] benzenesulfonate
CID 134107386
2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide
CID 54087220
2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide
CID 70576608
2-chloro-N-[(3-ethoxy-4-phenylphenyl)carbamothioyl]benzamide
CID 134110313
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide
CID 15452397

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-(difluoromethoxy)-4-[4-(difluoromethoxy)phenyl]phenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[3-(difluoromethoxy)-4-[4-(difluoromethoxy)phenyl]phenyl]carbamoyl]benzamide (CID 134087446) is 2-chloro-N-[[3-(difluoromethoxy)-4-[4-(difluoromethoxy)phenyl]phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[3-(difluoromethoxy)-4-[4-(difluoromethoxy)phenyl]phenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[3-(difluoromethoxy)-4-[4-(difluoromethoxy)phenyl]phenyl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1Cl)Nc1ccc(-c2ccc(OC(F)F)cc2)c(OC(F)F)c1.
What is the InChIKey of 2-chloro-N-[[3-(difluoromethoxy)-4-[4-(difluoromethoxy)phenyl]phenyl]carbamoyl]benzamide?
The InChIKey is WRANRRBLVAYNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF4N2O4/c23-17-4-2-1-3-16(17)19(30)29-22(31)28-13-7-10-15(18(11-13)33-21(26)27)12-5-8-14(9-6-12)32-20(24)25/h1-11,20-21H,(H2,28,29,30,31).
What are the key properties of 2-chloro-N-[[3-(difluoromethoxy)-4-[4-(difluoromethoxy)phenyl]phenyl]carbamoyl]benzamide?
2-chloro-N-[[3-(difluoromethoxy)-4-[4-(difluoromethoxy)phenyl]phenyl]carbamoyl]benzamide has a molecular weight of 482.82 g/mol, XLogP of 6.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-(difluoromethoxy)-4-[4-(difluoromethoxy)phenyl]phenyl]carbamoyl]benzamide is sourced from PubChem (CID 134087446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).