N-[4-(3-bromopropyl)-3-chlorophenyl]-2-chloro-4-(trifluoromethyl)benzamide

C17H13BrCl2F3NO — CID 89282724

IUPACN-[4-(3-bromopropyl)-3-chlorophenyl]-2-chloro-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(CCCBr)c(Cl)c1)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H13BrCl2F3NO/c18-7-1-2-10-3-5-12(9-14(10)19)24-16(25)13-6-4-11(8-15(13)20)17(21,22)23/h3-6,8-9H,1-2,7H2,(H,24,25)
InChIKeyPNGZCUOVVWWYIP-UHFFFAOYSA-N
MW455.10 g/mol
LogP6.59
Rot. Bonds5

About N-[4-(3-bromopropyl)-3-chlorophenyl]-2-chloro-4-(trifluoromethyl)benzamide

N-[4-(3-bromopropyl)-3-chlorophenyl]-2-chloro-4-(trifluoromethyl)benzamide (PubChem CID 89282724) has the molecular formula C17H13BrCl2F3NO and a molecular weight of 455.10 g/mol. Its IUPAC name is N-[4-(3-bromopropyl)-3-chlorophenyl]-2-chloro-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(3-bromopropyl)-3-chlorophenyl]-2-chloro-4-(trifluoromethyl)benzamide
PubChem CID89282724
Molecular FormulaC17H13BrCl2F3NO
Molecular Weight455.10 g/mol
Exact Mass452.95
IUPAC NameN-[4-(3-bromopropyl)-3-chlorophenyl]-2-chloro-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(CCCBr)c(Cl)c1)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H13BrCl2F3NO/c18-7-1-2-10-3-5-12(9-14(10)19)24-16(25)13-6-4-11(8-15(13)20)17(21,22)23/h3-6,8-9H,1-2,7H2,(H,24,25)
InChIKeyPNGZCUOVVWWYIP-UHFFFAOYSA-N
XLogP6.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.10
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzamide
CID 70967827
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]-2-chloro-4-(trifluoromethyl)benzamide
CID 67040728
2-chloro-4-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2988054
4-(benzenesulfonamido)-2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 92677411
ethyl 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-2-[2-(diethylamino)ethoxy]benzoate
CID 70967829
ethyl 2-(3-bromopropyl)-4-(trifluoromethyl)benzoate
CID 134644303
2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane
CID 144611727
4,5-dichloro-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 134151897
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
5-bromo-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-one
CID 146009577
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromopropyl)-3-chlorophenyl]-2-chloro-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(3-bromopropyl)-3-chlorophenyl]-2-chloro-4-(trifluoromethyl)benzamide (CID 89282724) is N-[4-(3-bromopropyl)-3-chlorophenyl]-2-chloro-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(3-bromopropyl)-3-chlorophenyl]-2-chloro-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(3-bromopropyl)-3-chlorophenyl]-2-chloro-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(CCCBr)c(Cl)c1)c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[4-(3-bromopropyl)-3-chlorophenyl]-2-chloro-4-(trifluoromethyl)benzamide?
The InChIKey is PNGZCUOVVWWYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrCl2F3NO/c18-7-1-2-10-3-5-12(9-14(10)19)24-16(25)13-6-4-11(8-15(13)20)17(21,22)23/h3-6,8-9H,1-2,7H2,(H,24,25).
What are the key properties of N-[4-(3-bromopropyl)-3-chlorophenyl]-2-chloro-4-(trifluoromethyl)benzamide?
N-[4-(3-bromopropyl)-3-chlorophenyl]-2-chloro-4-(trifluoromethyl)benzamide has a molecular weight of 455.10 g/mol, XLogP of 6.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromopropyl)-3-chlorophenyl]-2-chloro-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 89282724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).