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

C28H22ClFN2O3 — CID 26166889

IUPACN-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-phenylethoxy)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc(NC(=O)c2ccccc2OCCc2ccccc2)c1
InChIInChI=1S/C28H22ClFN2O3/c29-24-18-22(13-14-25(24)30)31-27(33)20-9-6-10-21(17-20)32-28(34)23-11-4-5-12-26(23)35-16-15-19-7-2-1-3-8-19/h1-14,17-18H,15-16H2,(H,31,33)(H,32,34)
InChIKeyJGMQJUBCKUJADT-UHFFFAOYSA-N
MW488.95 g/mol
LogP6.61
Rot. Bonds8

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

N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-phenylethoxy)benzamide (PubChem CID 26166889) has the molecular formula C28H22ClFN2O3 and a molecular weight of 488.95 g/mol. Its IUPAC name is N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-phenylethoxy)benzamide
PubChem CID26166889
Molecular FormulaC28H22ClFN2O3
Molecular Weight488.95 g/mol
Exact Mass488.13
IUPAC NameN-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-phenylethoxy)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc(NC(=O)c2ccccc2OCCc2ccccc2)c1
InChIInChI=1S/C28H22ClFN2O3/c29-24-18-22(13-14-25(24)30)31-27(33)20-9-6-10-21(17-20)32-28(34)23-11-4-5-12-26(23)35-16-15-19-7-2-1-3-8-19/h1-14,17-18H,15-16H2,(H,31,33)(H,32,34)
InChIKeyJGMQJUBCKUJADT-UHFFFAOYSA-N
XLogP6.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.95
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 26166788
N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 28638963
2-phenylethyl 4-[3-[(3-chloro-4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoate
CID 26166741
N-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628178
2-(2-phenylethoxy)-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 43877888
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
N-(3-chloro-4-fluorophenyl)-3-phenylmethoxybenzamide
CID 1074686
N-(2,6-dichlorophenyl)-2-(2-phenylethoxy)benzamide
CID 54785858
3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide
CID 54781131
2-(2-phenylethoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154818
3-bromo-N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-4-propoxybenzamide
CID 26166839
2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide
CID 54781200

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-phenylethoxy)benzamide?
The IUPAC name of N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-phenylethoxy)benzamide (CID 26166889) is N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-phenylethoxy)benzamide?
The canonical SMILES for N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-phenylethoxy)benzamide is O=C(Nc1ccc(F)c(Cl)c1)c1cccc(NC(=O)c2ccccc2OCCc2ccccc2)c1.
What is the InChIKey of N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-phenylethoxy)benzamide?
The InChIKey is JGMQJUBCKUJADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClFN2O3/c29-24-18-22(13-14-25(24)30)31-27(33)20-9-6-10-21(17-20)32-28(34)23-11-4-5-12-26(23)35-16-15-19-7-2-1-3-8-19/h1-14,17-18H,15-16H2,(H,31,33)(H,32,34).
What are the key properties of N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-phenylethoxy)benzamide?
N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-phenylethoxy)benzamide has a molecular weight of 488.95 g/mol, XLogP of 6.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 26166889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).