4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide

C17H15BrN2O2 — CID 109043419

IUPAC4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C17H15BrN2O2/c18-13-2-1-3-15(10-13)20-17(22)12-6-4-11(5-7-12)16(21)19-14-8-9-14/h1-7,10,14H,8-9H2,(H,19,21)(H,20,22)
InChIKeyYOBSEONOONQBTE-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.59
Rot. Bonds4

About 4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide

4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide (PubChem CID 109043419) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
PubChem CID109043419
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C17H15BrN2O2/c18-13-2-1-3-15(10-13)20-17(22)12-6-4-11(5-7-12)16(21)19-14-8-9-14/h1-7,10,14H,8-9H2,(H,19,21)(H,20,22)
InChIKeyYOBSEONOONQBTE-UHFFFAOYSA-N
XLogP3.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565
3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
CID 26110757
3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide
CID 16567527
1-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043396
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide
CID 166185447
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide (CID 109043419) is 4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide is O=C(Nc1cccc(Br)c1)c1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of 4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide?
The InChIKey is YOBSEONOONQBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c18-13-2-1-3-15(10-13)20-17(22)12-6-4-11(5-7-12)16(21)19-14-8-9-14/h1-7,10,14H,8-9H2,(H,19,21)(H,20,22).
What are the key properties of 4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide?
4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide has a molecular weight of 359.22 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109043419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).