2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide

C14H11Br2N3O2 — CID 114371284

IUPAC2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide
SMILESNC(=O)Nc1cccc(NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C14H11Br2N3O2/c15-8-4-5-12(16)11(6-8)13(20)18-9-2-1-3-10(7-9)19-14(17)21/h1-7H,(H,18,20)(H3,17,19,21)
InChIKeyYCNSVXINDWRMQB-UHFFFAOYSA-N
MW413.07 g/mol
LogP3.95
Rot. Bonds3

About 2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide

2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide (PubChem CID 114371284) has the molecular formula C14H11Br2N3O2 and a molecular weight of 413.07 g/mol. Its IUPAC name is 2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide
PubChem CID114371284
Molecular FormulaC14H11Br2N3O2
Molecular Weight413.07 g/mol
Exact Mass410.92
IUPAC Name2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide
SMILESNC(=O)Nc1cccc(NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C14H11Br2N3O2/c15-8-4-5-12(16)11(6-8)13(20)18-9-2-1-3-10(7-9)19-14(17)21/h1-7H,(H,18,20)(H3,17,19,21)
InChIKeyYCNSVXINDWRMQB-UHFFFAOYSA-N
XLogP3.95
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.07
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389
2,5-dibromo-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
CID 114375212
2,5-dibromo-N-carbamoylbenzamide
CID 114375953
2,5-dibromo-N-(3-cyanophenyl)benzamide
CID 114369410
2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide
CID 1020120
N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide
CID 114367768
2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841390
2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 114373061
2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 114374231
4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide
CID 115769554
2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
CID 990540
2-amino-3,5-dibromo-N-(3-bromophenyl)benzamide
CID 44586314

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide (CID 114371284) is 2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide is NC(=O)Nc1cccc(NC(=O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of 2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide?
The InChIKey is YCNSVXINDWRMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N3O2/c15-8-4-5-12(16)11(6-8)13(20)18-9-2-1-3-10(7-9)19-14(17)21/h1-7H,(H,18,20)(H3,17,19,21).
What are the key properties of 2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide?
2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide has a molecular weight of 413.07 g/mol, XLogP of 3.95, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide is sourced from PubChem (CID 114371284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).