N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide

C17H15BrN2O2 — CID 35436954

IUPACN-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H15BrN2O2/c18-13-4-2-6-15(10-13)20-17(22)12-3-1-5-14(9-12)19-16(21)11-7-8-11/h1-6,9-11H,7-8H2,(H,19,21)(H,20,22)
InChIKeyOITSYYLSGBJFOM-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.05
Rot. Bonds4

About N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide

N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide (PubChem CID 35436954) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
PubChem CID35436954
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC NameN-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H15BrN2O2/c18-13-4-2-6-15(10-13)20-17(22)12-3-1-5-14(9-12)19-16(21)11-7-8-11/h1-6,9-11H,7-8H2,(H,19,21)(H,20,22)
InChIKeyOITSYYLSGBJFOM-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid
CID 17018719
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N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 33151643
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
3-benzamido-N-(3-bromophenyl)benzamide
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3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
3-(cyclopropanecarbonylamino)-N-(2-hydroxyphenyl)benzamide
CID 29260677
3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
CID 26110757
3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide
CID 33156436
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
3-(cyclopropanecarbonylamino)-N-(4-phenoxyphenyl)benzamide
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3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide?
The IUPAC name of N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide (CID 35436954) is N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide?
The canonical SMILES for N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide is O=C(Nc1cccc(Br)c1)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide?
The InChIKey is OITSYYLSGBJFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c18-13-4-2-6-15(10-13)20-17(22)12-3-1-5-14(9-12)19-16(21)11-7-8-11/h1-6,9-11H,7-8H2,(H,19,21)(H,20,22).
What are the key properties of N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide?
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide has a molecular weight of 359.22 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide is sourced from PubChem (CID 35436954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).