N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide

C20H13BrCl2N2O2 — CID 21211970

IUPACN-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H13BrCl2N2O2/c21-14-4-1-12(2-5-14)19(26)24-15-6-8-16(9-7-15)25-20(27)13-3-10-17(22)18(23)11-13/h1-11H,(H,24,26)(H,25,27)
InChIKeyUJEMBHYYIZGUBD-UHFFFAOYSA-N
MW464.15 g/mol
LogP6.26
Rot. Bonds4

About N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide

N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide (PubChem CID 21211970) has the molecular formula C20H13BrCl2N2O2 and a molecular weight of 464.15 g/mol. Its IUPAC name is N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide
PubChem CID21211970
Molecular FormulaC20H13BrCl2N2O2
Molecular Weight464.15 g/mol
Exact Mass461.95
IUPAC NameN-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H13BrCl2N2O2/c21-14-4-1-12(2-5-14)19(26)24-15-6-8-16(9-7-15)25-20(27)13-3-10-17(22)18(23)11-13/h1-11H,(H,24,26)(H,25,27)
InChIKeyUJEMBHYYIZGUBD-UHFFFAOYSA-N
XLogP6.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.15
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide
CID 112984878
4-bromo-N-(4-chloro-3-methoxyphenyl)benzamide
CID 107271772
4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 80961600
3,4-dichloro-N-[4-[(2-hydroxybenzoyl)amino]phenyl]benzamide
CID 624416
3,4-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 82885265
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789
3,4-dichloro-N-[4-(methylaminomethyl)phenyl]benzamide
CID 71019742
N-(3,4-dichlorophenyl)-4-hydrazinylbenzamide
CID 62235810
[4-[(4-bromophenyl)carbamoyl]phenyl] thiohypochlorite
CID 21148482
4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride
CID 81290021
3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 674696

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide (CID 21211970) is N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide is O=C(Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide?
The InChIKey is UJEMBHYYIZGUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrCl2N2O2/c21-14-4-1-12(2-5-14)19(26)24-15-6-8-16(9-7-15)25-20(27)13-3-10-17(22)18(23)11-13/h1-11H,(H,24,26)(H,25,27).
What are the key properties of N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide?
N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide has a molecular weight of 464.15 g/mol, XLogP of 6.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 21211970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).