5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide

C14H19BrN2O — CID 107396879

IUPAC5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide
SMILESCCN(CC1CCC1)C(=O)c1cc(N)ccc1Br
InChIInChI=1S/C14H19BrN2O/c1-2-17(9-10-4-3-5-10)14(18)12-8-11(16)6-7-13(12)15/h6-8,10H,2-5,9,16H2,1H3
InChIKeyMCTRHXSKOFBADG-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.29
Rot. Bonds4

About 5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide

5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide (PubChem CID 107396879) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide
PubChem CID107396879
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide
SMILESCCN(CC1CCC1)C(=O)c1cc(N)ccc1Br
InChIInChI=1S/C14H19BrN2O/c1-2-17(9-10-4-3-5-10)14(18)12-8-11(16)6-7-13(12)15/h6-8,10H,2-5,9,16H2,1H3
InChIKeyMCTRHXSKOFBADG-UHFFFAOYSA-N
XLogP3.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide
CID 107402633
4-bromo-3-[cyclopropylmethyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65397831
3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63954686
4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63956122
5-amino-N-(cyclopropylmethyl)-N-ethyl-2-nitrobenzamide
CID 63939918
5-amino-2-bromo-N-[3-(diethylamino)propyl]-N-ethylbenzamide
CID 102990935
2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide
CID 81002456
methyl 2-[(5-amino-2-bromobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62956423
1-(5-amino-2-bromophenyl)-2-cyclopentylethanone
CID 116602873
2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide
CID 60669039
3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide
CID 107400412
2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid
CID 107397528

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide?
The IUPAC name of 5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide (CID 107396879) is 5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide?
The canonical SMILES for 5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide is CCN(CC1CCC1)C(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide?
The InChIKey is MCTRHXSKOFBADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-2-17(9-10-4-3-5-10)14(18)12-8-11(16)6-7-13(12)15/h6-8,10H,2-5,9,16H2,1H3.
What are the key properties of 5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide?
5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide has a molecular weight of 311.22 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide is sourced from PubChem (CID 107396879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).