N-[3-[(4-chlorophenyl)carbamoyl]phenyl]-3,5-bis(trifluoromethyl)benzamide

C22H13ClF6N2O2 — CID 46224898

IUPACN-[3-[(4-chlorophenyl)carbamoyl]phenyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H13ClF6N2O2/c23-16-4-6-17(7-5-16)30-19(32)12-2-1-3-18(10-12)31-20(33)13-8-14(21(24,25)26)11-15(9-13)22(27,28)29/h1-11H,(H,30,32)(H,31,33)
InChIKeyWCKCJDAVGXMFLJ-UHFFFAOYSA-N
MW486.80 g/mol
LogP6.88
Rot. Bonds4

About N-[3-[(4-chlorophenyl)carbamoyl]phenyl]-3,5-bis(trifluoromethyl)benzamide

N-[3-[(4-chlorophenyl)carbamoyl]phenyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 46224898) has the molecular formula C22H13ClF6N2O2 and a molecular weight of 486.80 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)carbamoyl]phenyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)carbamoyl]phenyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID46224898
Molecular FormulaC22H13ClF6N2O2
Molecular Weight486.80 g/mol
Exact Mass486.06
IUPAC NameN-[3-[(4-chlorophenyl)carbamoyl]phenyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H13ClF6N2O2/c23-16-4-6-17(7-5-16)30-19(32)12-2-1-3-18(10-12)31-20(33)13-8-14(21(24,25)26)11-15(9-13)22(27,28)29/h1-11H,(H,30,32)(H,31,33)
InChIKeyWCKCJDAVGXMFLJ-UHFFFAOYSA-N
XLogP6.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.80
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)carbamoyl]phenyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[(4-chlorophenyl)carbamoyl]phenyl]-3,5-bis(trifluoromethyl)benzamide (CID 46224898) is N-[3-[(4-chlorophenyl)carbamoyl]phenyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)carbamoyl]phenyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)carbamoyl]phenyl]-3,5-bis(trifluoromethyl)benzamide is O=C(Nc1ccc(Cl)cc1)c1cccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[3-[(4-chlorophenyl)carbamoyl]phenyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is WCKCJDAVGXMFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF6N2O2/c23-16-4-6-17(7-5-16)30-19(32)12-2-1-3-18(10-12)31-20(33)13-8-14(21(24,25)26)11-15(9-13)22(27,28)29/h1-11H,(H,30,32)(H,31,33).
What are the key properties of N-[3-[(4-chlorophenyl)carbamoyl]phenyl]-3,5-bis(trifluoromethyl)benzamide?
N-[3-[(4-chlorophenyl)carbamoyl]phenyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 486.80 g/mol, XLogP of 6.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)carbamoyl]phenyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 46224898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).