4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide

C24H17BrN2O2 — CID 1215843

IUPAC4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide
SMILESO=C(Nc1ccc(C(=O)Nc2cccc3ccccc23)cc1)c1ccc(Br)cc1
InChIInChI=1S/C24H17BrN2O2/c25-19-12-8-17(9-13-19)23(28)26-20-14-10-18(11-15-20)24(29)27-22-7-3-5-16-4-1-2-6-21(16)22/h1-15H,(H,26,28)(H,27,29)
InChIKeyCIDWQWFEZYVBKE-UHFFFAOYSA-N
MW445.32 g/mol
LogP6.11
Rot. Bonds4

About 4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide

4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide (PubChem CID 1215843) has the molecular formula C24H17BrN2O2 and a molecular weight of 445.32 g/mol. Its IUPAC name is 4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide
PubChem CID1215843
Molecular FormulaC24H17BrN2O2
Molecular Weight445.32 g/mol
Exact Mass444.05
IUPAC Name4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide
SMILESO=C(Nc1ccc(C(=O)Nc2cccc3ccccc23)cc1)c1ccc(Br)cc1
InChIInChI=1S/C24H17BrN2O2/c25-19-12-8-17(9-13-19)23(28)26-20-14-10-18(11-15-20)24(29)27-22-7-3-5-16-4-1-2-6-21(16)22/h1-15H,(H,26,28)(H,27,29)
InChIKeyCIDWQWFEZYVBKE-UHFFFAOYSA-N
XLogP6.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.32
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(difluoromethoxy)benzoyl]amino]-N-naphthalen-1-ylbenzamide
CID 1363649
N-naphthalen-1-yl-4-sulfanylbenzamide
CID 107019782
4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide
CID 70803763
N-[4-[(2-methylphenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 2988389
4-(4-acetylphenyl)-N-naphthalen-1-ylbenzamide
CID 170421600
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
4-benzamido-N-(2-bromophenyl)benzamide
CID 17153303
4-bromo-N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]benzamide
CID 3815950
N-(4-bromophenyl)-2-hydroxynaphthalene-1-carboxamide
CID 86575073
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789
N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide
CID 41148682

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide?
The IUPAC name of 4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide (CID 1215843) is 4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide is O=C(Nc1ccc(C(=O)Nc2cccc3ccccc23)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide?
The InChIKey is CIDWQWFEZYVBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN2O2/c25-19-12-8-17(9-13-19)23(28)26-20-14-10-18(11-15-20)24(29)27-22-7-3-5-16-4-1-2-6-21(16)22/h1-15H,(H,26,28)(H,27,29).
What are the key properties of 4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide?
4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide has a molecular weight of 445.32 g/mol, XLogP of 6.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 1215843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).