4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide

C13H15BrN2O2 — CID 47098981

IUPAC4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
SMILESO=C(NCCNC(=O)C1CC1)c1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O2/c14-11-5-3-10(4-6-11)13(18)16-8-7-15-12(17)9-1-2-9/h3-6,9H,1-2,7-8H2,(H,15,17)(H,16,18)
InChIKeyGGSXLLSWRWZHEN-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.71
Rot. Bonds5

About 4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide

4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide (PubChem CID 47098981) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
PubChem CID47098981
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
SMILESO=C(NCCNC(=O)C1CC1)c1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O2/c14-11-5-3-10(4-6-11)13(18)16-8-7-15-12(17)9-1-2-9/h3-6,9H,1-2,7-8H2,(H,15,17)(H,16,18)
InChIKeyGGSXLLSWRWZHEN-UHFFFAOYSA-N
XLogP1.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[2-[[N'-[2-(cyclopropanecarbonylamino)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111926907
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide
CID 52718973
N-[2-[(4-bromobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 119299525
4-bromo-N-[2-(cyclopropylcarbamoylamino)ethyl]benzamide
CID 47322636
N-[2-(cyclopropanecarbonylamino)ethyl]-4-pyrimidin-5-ylbenzamide
CID 134801894
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 46103850
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(difluoromethylsulfonyl)benzamide
CID 51152969
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 121062502
4-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524562
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
(2S,5R)-5-(aminomethyl)-N-[2-[(4-bromobenzoyl)amino]ethyl]oxolane-2-carboxamide;hydrochloride
CID 120789131
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide (CID 47098981) is 4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide is O=C(NCCNC(=O)C1CC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide?
The InChIKey is GGSXLLSWRWZHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c14-11-5-3-10(4-6-11)13(18)16-8-7-15-12(17)9-1-2-9/h3-6,9H,1-2,7-8H2,(H,15,17)(H,16,18).
What are the key properties of 4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide?
4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide has a molecular weight of 311.18 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide is sourced from PubChem (CID 47098981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).